methyl 1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: methyl 1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: methyl 1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(trifluoromethyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid methyl ester Formula: C12H9F3N2O2 MolecularWeight: 270.20727

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=C1C(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CN(N=C1C(F)(F)F)C2=CC=CC=C2

InChI

InChI=1S/C12H9F3N2O2/c1-19-11(18)9-7-17(8-5-3-2-4-6-8)16-10(9)12(13,14)15/h2-7H,1H3