[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C31H20N4O5 MolecularWeight: 528.5143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])C#N

InChI

InChI=1S/C31H20N4O5/c32-18-23-16-24(35(38)39)14-15-27(23)34-30(36)19-40-31(37)26-17-29(33-28-9-5-4-8-25(26)28)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-17H,19H2,(H,34,36)