3-[1,4-bis(oxidanyl)naphthalen-2-yl]sulfanyl-9-nitro-2H-2,4-benzodiazepine-1,5-dione

Systemtic Name: 3-[1,4-bis(oxidanyl)naphthalen-2-yl]sulfanyl-9-nitro-2H-2,4-benzodiazepine-1,5-dione Openeye Name: 3-[(1,4-dihydroxy-2-naphthyl)sulfanyl]-9-nitro-2H-2,4-benzodiazepine-1,5-dione CAS Name: 3-[(1,4-dihydroxy-2-naphthalenyl)thio]-9-nitro-2H-2,4-benzodiazepine-1,5-dione IUPAC Name: 3-(1,4-dihydroxynaphthalen-2-yl)sulfanyl-9-nitro-2H-2,4-benzodiazepine-1,5-dione Traditional Name: 3-[(1,4-dihydroxy-2-naphthyl)thio]-9-nitro-2H-2,4-benzodiazepine-1,5-quinone Formula: C19H11N3O6S MolecularWeight: 409.37214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)SC3=NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C(=O)N3)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)SC3=NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C(=O)N3)O

InChI

InChI=1S/C19H11N3O6S/c23-13-8-14(16(24)10-5-2-1-4-9(10)13)29-19-20-17(25)11-6-3-7-12(22(27)28)15(11)18(26)21-19/h1-8,23-24H,(H,20,21,25,26)