[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C21H18ClF3N4O3 MolecularWeight: 466.84083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H18ClF3N4O3/c1-12(2)19-14(10-27-29(19)17-5-3-4-8-26-17)20(31)32-11-18(30)28-16-7-6-13(22)9-15(16)21(23,24)25/h3-10,12H,11H2,1-2H3,(H,28,30)