[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: [2-(4-chloroanilino)-2-oxo-ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid [2-(4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid [2-(4-chloroanilino)-2-keto-ethyl] ester Formula: C21H15ClF3N3O3 MolecularWeight: 449.81031

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H15ClF3N3O3/c22-14-6-8-15(9-7-14)27-18(29)12-31-20(30)17-5-2-10-26-19(17)28-16-4-1-3-13(11-16)21(23,24)25/h1-11H,12H2,(H,26,28)(H,27,29)