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

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(3,4-dimethylphenyl)-6-methyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-(3,4-dimethylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(3,4-dimethylphenyl)-6-methyl-cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C27H22N2O5 MolecularWeight: 454.47398

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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)C)C

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)C)C

InChI

InChI=1S/C27H22N2O5/c1-16-7-10-24-22(11-16)23(14-25(28-24)19-9-8-17(2)18(3)12-19)27(31)34-15-26(30)20-5-4-6-21(13-20)29(32)33/h4-14H,15H2,1-3H3