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

Systemtic Name: 2-methyl-1-[(4-nitrophenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: 2-methyl-1-[(4-nitrophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: 2-methyl-1-[(4-nitrophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: 2-methyl-1-[(4-nitrophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: 4-keto-2-methyl-1-(4-nitrobenzyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(N1CC3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)C(=O)N

Isomeric SMILES

CC1CC(=O)NC2=C(N1CC3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)C(=O)N

InChI

InChI=1S/C18H18N4O4/c1-11-8-17(23)20-15-9-13(18(19)24)4-7-16(15)21(11)10-12-2-5-14(6-3-12)22(25)26/h2-7,9,11H,8,10H2,1H3,(H2,19,24)(H,20,23)