284079 <common-name>(1e)-1-(1-methylpyrrolidin-2-ylidene)-3-(4-nitrophenyl)urea</common-name> <description>(1e)-1-(1-methylpyrrolidin-2-ylidene)-3-(4-nitrophenyl)urea belongs to the n-phenylureas, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C12H14N4O3 and an average molecular weight of 262.26 g/mol.</description> <cas>50529-02-7</cas> <pubchem-id>9554219</pubchem-id> <chemical-formula>C12H14N4O3</chemical-formula> <weight>262.26</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-27T19:41:37Z</created-at> <updated-at type="dateTime">2026-08-27T19:41:37Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CN1CCCC1=NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C12H14N4O3</moldb-formula> <moldb-inchi>InChI=1S/C12H14N4O3/c1-15-8-2-3-11(15)14-12(17)13-9-4-6-10(7-5-9)16(18)19/h4-7H,2-3,8H2,1H3,(H,13,17)/b14-11+</moldb-inchi> <moldb-inchikey>VAODBZOYKXWEQR-SDNWHVSQSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">262.1065903</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM279972</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(1e)-1-(1-methylpyrrolidin-2-ylidene)-3-(4-nitrophenyl)urea</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>N-phenylureas</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0235979</sync-id> <structure-inchikey>VAODBZOYKXWEQR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000200000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000020000000000000001004400000400040001000010000000210400000000000000000020100000000000000000000000800000040000400000000000000204088000000001000000000000000000020000000000000000000000040080000000000000000000000008000000000000000000000000000000000000000000000008000040000000000200200800000000000428000000000000040000000000400000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>d43008400942060080000000010820000000040000052000023400f00200000c400600d00080000004004108008000000c200025008c30010000643000b04400c41104000210044000d0100000620200000005805001103240000422000208400c2004060040020920000000d4140002a00080500901c0047138002002310002004000180cc0800808020200082c0008111c88124400140200008a0000c00084004320000018c00000001840017c25101ac00000894108401803020008400a100010008404402012018300000401038020000000020050200d0080040800010000000812008800840000000000122000001000308242000e0008008050030402</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAFAAAAIABBgBgAAAAAQMHACgAAAAD AwYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAKAAAAAMEBwAoAAAAAwMGACgA AAADBAgAKAAAAAMCBwBoAAAAAwIBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAAD AwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQcgKgAAAAEDBAgAKAAAAAMC CCAqAAAA/wMBCwABAAECAAIDAAMEAAQFAAUGKAIGByAHCCgCBwkgCQogCgto DAsMaAwMDWgMDQ5oDA4PaAwNECAQESgCEBIgBQEgDwpoDEICAAAABQECAwQF BgsMDQ4PChcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:58:28Z</structure-indexed-at> </compound>