[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C32H25N3O5 MolecularWeight: 531.558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C32H25N3O5/c1-20-12-15-22(16-13-20)28-19-25(24-10-6-7-11-26(24)33-28)32(37)40-30(23-8-4-3-5-9-23)31(36)34-27-17-14-21(2)18-29(27)35(38)39/h3-19,30H,1-2H3,(H,34,36)