7,8-dimethyl-6-nitro-3-(phenylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Systemtic Name: 7,8-dimethyl-6-nitro-3-(phenylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione Openeye Name: 3-benzyl-7,8-dimethyl-6-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione CAS Name: 7,8-dimethyl-6-nitro-3-(phenylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione IUPAC Name: 3-benzyl-7,8-dimethyl-6-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione Traditional Name: 3-benzyl-7,8-dimethyl-6-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-quinone Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1C)[N+](=O)[O-])C(=O)NC(C(=O)N2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C(=C1C)[N+](=O)[O-])C(=O)NC(C(=O)N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4/c1-10-8-13-15(16(11(10)2)21(24)25)18(23)20-14(17(22)19-13)9-12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,19,22)(H,20,23)