3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C25H17N3O7 MolecularWeight: 471.41838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCCCN4C5=CC=CC=C5NC4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCCCN4C5=CC=CC=C5NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C25H17N3O7/c29-22-14-6-1-2-7-15(14)23(30)20-16(22)10-11-17(21(20)28(33)34)24(31)35-13-5-12-27-19-9-4-3-8-18(19)26-25(27)32/h1-4,6-11H,5,12-13H2,(H,26,32)