5-(3-chloranylphenoxy)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-(3-chloranylphenoxy)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C12H8ClF3N2O3 MolecularWeight: 320.65173

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)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C(=O)O)OC2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H8ClF3N2O3/c1-18-10(21-7-4-2-3-6(13)5-7)8(11(19)20)9(17-18)12(14,15)16/h2-5H,1H3,(H,19,20)