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

Systemtic Name: 8-nitro-3-(phenylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione Openeye Name: 3-benzyl-8-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione CAS Name: 8-nitro-3-(phenylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione IUPAC Name: 3-benzyl-8-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione Traditional Name: 3-benzyl-8-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-quinone Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C16H13N3O4/c20-15-12-7-6-11(19(22)23)9-13(12)17-16(21)14(18-15)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,17,21)(H,18,20)