ethyl 1-(3-chloranyl-4-fluoranyl-phenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(3-chloranyl-4-fluoranyl-phenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(3-chloro-4-fluoro-phenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(3-chloro-4-fluorophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-chloro-4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C13H9ClF4N2O2 MolecularWeight: 336.669373

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=C(C=C2)F)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=C(C=C2)F)Cl)C(F)(F)F

InChI

InChI=1S/C13H9ClF4N2O2/c1-2-22-12(21)8-6-19-20(11(8)13(16,17)18)7-3-4-10(15)9(14)5-7/h3-6H,2H2,1H3