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

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 6-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-methyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C26H20N2O5 MolecularWeight: 440.4474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O5/c1-16-6-9-18(10-7-16)24-14-22(21-12-17(2)8-11-23(21)27-24)26(30)33-15-25(29)19-4-3-5-20(13-19)28(31)32/h3-14H,15H2,1-2H3