5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 5-methyl-1-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxylate IUPAC Name: 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Formula: C12H8F3N2O2- MolecularWeight: 269.19933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)[O-]

InChI

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