1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: 1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: 1-(o-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(2-methylphenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylate IUPAC Name: 1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(o-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxylate Formula: C12H8F3N2O2- MolecularWeight: 269.19933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)[O-])C(F)(F)F

InChI

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