[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl] 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl] 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl] 6-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-methoxy-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-nitrophenyl)-2-oxoethyl] 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-methyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl] ester Formula: C27H22N2O6 MolecularWeight: 470.47338

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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(=C(C=C4)OC)[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(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H22N2O6/c1-16-4-7-18(8-5-16)23-14-21(20-12-17(2)6-10-22(20)28-23)27(31)35-15-25(30)19-9-11-26(34-3)24(13-19)29(32)33/h4-14H,15H2,1-3H3