2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoate

Systemtic Name: 2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoate Openeye Name: 2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoate CAS Name: 2-[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]benzoate IUPAC Name: 2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoate Traditional Name: 2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoate Formula: C12H8F3N2O2- MolecularWeight: 269.19933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2C(=O)[O-]

InChI

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