1-[(4-nitrophenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: 1-[(4-nitrophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: 1-[(4-nitrophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: 4-keto-1-(4-nitrobenzyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(C=C(C=C2)C(=O)N)NC1=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=C(C=C(C=C2)C(=O)N)NC1=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4/c18-17(23)12-3-6-15-14(9-12)19-16(22)7-8-20(15)10-11-1-4-13(5-2-11)21(24)25/h1-6,9H,7-8,10H2,(H2,18,23)(H,19,22)