N-butyl-7-nitro-2-oxidanylidene-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide

Systemtic Name: N-butyl-7-nitro-2-oxidanylidene-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide Openeye Name: N-butyl-7-nitro-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide CAS Name: N-butyl-7-nitro-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide IUPAC Name: N-butyl-7-nitro-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide Traditional Name: N-butyl-2-keto-7-nitro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c1-2-3-11-21-20(26)23-13-18(25)22-17-10-9-15(24(27)28)12-16(17)19(23)14-7-5-4-6-8-14/h4-10,12,19H,2-3,11,13H2,1H3,(H,21,26)(H,22,25)