[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] pyridine-4-carboxylate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C21H14ClF3N2O3 MolecularWeight: 434.79567

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)OC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H14ClF3N2O3/c22-15-6-7-17(16(12-15)21(23,24)25)27-19(28)18(13-4-2-1-3-5-13)30-20(29)14-8-10-26-11-9-14/h1-12,18H,(H,27,28)