[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 6-chloro-2-methyl-quinoline-3-carboxylate CAS Name: 6-chloro-2-methyl-3-quinolinecarboxylic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate Traditional Name: 6-chloro-2-methyl-quinoline-3-carboxylic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=C(N=C3C=CC(=CC3=C2)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=C(N=C3C=CC(=CC3=C2)Cl)C

InChI

InChI=1S/C21H19ClN2O3/c1-12-4-5-13(2)19(8-12)24-20(25)11-27-21(26)17-10-15-9-16(22)6-7-18(15)23-14(17)3/h4-10H,11H2,1-3H3,(H,24,25)