[1-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 6-methoxyquinoline-2-carboxylate

Systemtic Name: [1-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 6-methoxyquinoline-2-carboxylate Openeye Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-1-methyl-2-oxo-ethyl] 6-methoxyquinoline-2-carboxylate CAS Name: 6-methoxy-2-quinolinecarboxylic acid [1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 6-methoxyquinoline-2-carboxylate Traditional Name: 6-methoxyquinaldic acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H16ClF3N2O4 MolecularWeight: 452.81095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)OC(=O)C2=NC3=C(C=C2)C=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)OC(=O)C2=NC3=C(C=C2)C=C(C=C3)OC

InChI

InChI=1S/C21H16ClF3N2O4/c1-11(19(28)26-13-4-6-16(22)15(10-13)21(23,24)25)31-20(29)18-7-3-12-9-14(30-2)5-8-17(12)27-18/h3-11H,1-2H3,(H,26,28)