[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C29H18N4O7 MolecularWeight: 534.47582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C29H18N4O7/c34-24(30-17-10-12-19(13-11-17)32-31-18-6-2-1-3-7-18)16-40-29(37)23-15-14-22-25(26(23)33(38)39)28(36)21-9-5-4-8-20(21)27(22)35/h1-15H,16H2,(H,30,34)