7-nitro-2-oxidanidyl-2-phenylazanyl-3,4-dihydropyrrolo[3,4-b]quinolin-2-ium-1,9-dione

Systemtic Name: 7-nitro-2-oxidanidyl-2-phenylazanyl-3,4-dihydropyrrolo[3,4-b]quinolin-2-ium-1,9-dione Openeye Name: 2-anilino-7-nitro-2-oxido-3,4-dihydropyrrolo[3,4-b]quinolin-2-ium-1,9-dione CAS Name: 2-anilino-7-nitro-2-oxido-3,4-dihydropyrrolo[3,4-b]quinolin-2-ium-1,9-dione IUPAC Name: 2-anilino-7-nitro-2-oxido-3,4-dihydropyrrolo[3,4-b]quinolin-2-ium-1,9-dione Traditional Name: 2-anilino-7-nitro-2-oxido-3,4-dihydropyrrolo[3,4-b]quinolin-2-ium-1,9-quinone Formula: C17H12N4O5 MolecularWeight: 352.30098

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-])C(=O)[N+]1(NC4=CC=CC=C4)[O-]

Isomeric SMILES

C1C2=C(C(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-])C(=O)[N+]1(NC4=CC=CC=C4)[O-]

InChI

InChI=1S/C17H12N4O5/c22-16-12-8-11(20(24)25)6-7-13(12)18-14-9-21(26,17(23)15(14)16)19-10-4-2-1-3-5-10/h1-8,19H,9H2,(H,18,22)