methyl 2-(3-cyano-4-fluoranyl-phenyl)-5-(trifluoromethyl)pyrazole-3-carboxylate

Systemtic Name: methyl 2-(3-cyano-4-fluoranyl-phenyl)-5-(trifluoromethyl)pyrazole-3-carboxylate Openeye Name: methyl 2-(3-cyano-4-fluoro-phenyl)-5-(trifluoromethyl)pyrazole-3-carboxylate CAS Name: 2-(3-cyano-4-fluorophenyl)-5-(trifluoromethyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-cyano-4-fluorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxylate Traditional Name: 2-(3-cyano-4-fluoro-phenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid methyl ester Formula: C13H7F4N3O2 MolecularWeight: 313.207193

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NN1C2=CC(=C(C=C2)F)C#N)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=NN1C2=CC(=C(C=C2)F)C#N)C(F)(F)F

InChI

InChI=1S/C13H7F4N3O2/c1-22-12(21)10-5-11(13(15,16)17)19-20(10)8-2-3-9(14)7(4-8)6-18/h2-5H,1H3