2-methyl-7-nitro-5-oxidanylidene-4-(phenylmethyl)-N-propan-2-yl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxamide

Systemtic Name: 2-methyl-7-nitro-5-oxidanylidene-4-(phenylmethyl)-N-propan-2-yl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxamide Openeye Name: 4-benzyl-N-isopropyl-2-methyl-7-nitro-5-oxo-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxamide CAS Name: 2-methyl-7-nitro-5-oxo-4-(phenylmethyl)-N-propan-2-yl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxamide IUPAC Name: 4-benzyl-2-methyl-7-nitro-5-oxo-N-propan-2-yl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxamide Traditional Name: 4-benzyl-N-isopropyl-5-keto-2-methyl-7-nitro-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxamide Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C(=O)C2=C(N1)C=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3)C(=O)NC(C)C

Isomeric SMILES

CC1C(N(C(=O)C2=C(N1)C=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3)C(=O)NC(C)C

InChI

InChI=1S/C21H24N4O4/c1-13(2)22-20(26)19-14(3)23-18-10-9-16(25(28)29)11-17(18)21(27)24(19)12-15-7-5-4-6-8-15/h4-11,13-14,19,23H,12H2,1-3H3,(H,22,26)