[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2,3-diphenylquinoline-4-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2,3-diphenylquinoline-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2,3-diphenylquinoline-4-carboxylate CAS Name: 2,3-diphenyl-4-quinolinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2,3-diphenylquinoline-4-carboxylate Traditional Name: 2,3-diphenylcinchoninic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C31H22N2O5 MolecularWeight: 502.51678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H22N2O5/c1-20-16-17-23(18-26(20)33(36)37)27(34)19-38-31(35)29-24-14-8-9-15-25(24)32-30(22-12-6-3-7-13-22)28(29)21-10-4-2-5-11-21/h2-18H,19H2,1H3