1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-methyl-5-phenoxy-3-(trifluoromethyl)-4-pyrazolecarboxylate IUPAC Name: 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole-4-carboxylate Formula: C12H8F3N2O3- MolecularWeight: 285.19873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C(=O)[O-])OC2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C(=O)[O-])OC2=CC=CC=C2

InChI

InChI=1S/C12H9F3N2O3/c1-17-10(20-7-5-3-2-4-6-7)8(11(18)19)9(16-17)12(13,14)15/h2-6H,1H3,(H,18,19)/p-1