[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 8-chloranyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 8-chloranyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 8-chloro-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 8-chloro-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 8-chloro-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 8-chloro-2-(p-tolyl)cinchoninic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C25H16Cl3NO3 MolecularWeight: 484.75844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)OCC(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)OCC(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H16Cl3NO3/c1-14-5-7-15(8-6-14)22-12-19(17-3-2-4-20(27)24(17)29-22)25(31)32-13-23(30)18-10-9-16(26)11-21(18)28/h2-12H,13H2,1H3