[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C22H14ClF3N4O3 MolecularWeight: 474.81977

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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=CC(=C3)Cl)C#N)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H14ClF3N4O3/c23-15-7-6-13(11-27)18(10-15)30-19(31)12-33-21(32)17-5-2-8-28-20(17)29-16-4-1-3-14(9-16)22(24,25)26/h1-10H,12H2,(H,28,29)(H,30,31)