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

Systemtic Name: [2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-2-oxo-ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid [2-(2-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H14ClF4N3O3 MolecularWeight: 467.800773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClF4N3O3/c22-16-10-13(23)6-7-17(16)29-18(30)11-32-20(31)15-5-2-8-27-19(15)28-14-4-1-3-12(9-14)21(24,25)26/h1-10H,11H2,(H,27,28)(H,29,30)