310301 <common-name>7-nitro-5-phenyl-1-prop-2-ynyl-3h-1,4-benzodiazepin-2-one</common-name> <description>7-nitro-5-phenyl-1-prop-2-ynyl-3h-1,4-benzodiazepin-2-one is a chemical compound with the formula C18H13N3O3. It has an average molecular weight of 319.30 g/mol.</description> <cas>52465-42-6</cas> <pubchem-id>3040556</pubchem-id> <chemical-formula>C18H13N3O3</chemical-formula> <weight>319.3</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">2026-08-29T05:27:57Z</created-at> <updated-at type="dateTime">2026-08-29T05:27:57Z</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>C#CCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3</moldb-smiles> <moldb-formula>C18H13N3O3</moldb-formula> <moldb-inchi>InChI=1S/C18H13N3O3/c1-2-10-20-16-9-8-14(21(23)24)11-15(16)18(19-12-17(20)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2</moldb-inchi> <moldb-inchikey>CPRXMYGXMWGHJX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">319.0956913</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.3</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>CHEM306194</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>7-nitro-5-phenyl-1-prop-2-ynyl-3h-1,4-benzodiazepin-2-one</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>Organoheterocyclic compounds</superklass> <klass>Benzodiazepines</klass> <subklass>1,4-benzodiazepines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0261280</sync-id> <structure-inchikey>CPRXMYGXMWGHJX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000800000000000010000000000000000000000000000000000000000000020020000008000002204000000000000000000000000000000000000000200000000080000000080000020000020000000001008088000400000000002000000400200000000104000000010020100000000020000000000000000000000000000800000000000000000800000001100000100000000000020000100000040000000000000080000000000000010000000000000000000001000000000100000000000000000000000000000000000000000000200000000000000420000000000000040000000001000000800001000000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���h��������(�������`�������(�������(�������(�������`�������(�������(������@(������@(������@h�������@h�������@(������@h������� *��������(������ *���ÿ���@(������@h�������@h�������@h�������@h�������@h������������������� ��(���������(�� h� �h���h�� h� �h� � ��(��� �� ��h���h���h���h���h� � � h���h�B���������� ��� � �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:17:46Z</structure-indexed-at> </compound>