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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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