45962 <common-name>2-nitro-4,5-bis(benzyloxy)phenylacetonitrile</common-name> <description nil="true"/> <cas>117568-27-1</cas> <pubchem-id>10904838</pubchem-id> <chemical-formula>C22H18N2O4</chemical-formula> <weight nil="true"/> <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">2016-06-03T12:37:54Z</created-at> <updated-at type="dateTime">2026-03-27T00:54:04Z</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>O=N(=O)C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1CC#N</moldb-smiles> <moldb-formula>C22H18N2O4</moldb-formula> <moldb-inchi>InChI=1S/C22H18N2O4/c23-12-11-19-13-21(27-15-17-7-3-1-4-8-17)22(14-20(19)24(25)26)28-16-18-9-5-2-6-10-18/h1-10,13-14H,11,15-16H2</moldb-inchi> <moldb-inchikey>DPVIYAXAQYTSRV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">374.396</moldb-average-mass> <moldb-mono-mass type="decimal">374.126657068</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>9080098</chemspider-id> <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>CHEM044857</chemdb-id> <dsstox-id>DTXSID70447867</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006899</stoff-ident-id> <susdat-id>NS00006577</susdat-id> <iupac>2-[4,5-bis(benzyloxy)-2-nitrophenyl]acetonitrile</iupac> </compound>