[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 6-methyl-2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 6-methyl-2-(4-phenylphenyl)cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C31H22N2O5 MolecularWeight: 502.51678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C5=CC=CC=C5

InChI

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