2-(3-cyanophenyl)-4-methoxy-5-(trifluoromethyl)pyrazole-3-carboxylic acid

Systemtic Name: 2-(3-cyanophenyl)-4-methoxy-5-(trifluoromethyl)pyrazole-3-carboxylic acid Openeye Name: 2-(3-cyanophenyl)-4-methoxy-5-(trifluoromethyl)pyrazole-3-carboxylic acid CAS Name: 2-(3-cyanophenyl)-4-methoxy-5-(trifluoromethyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-(3-cyanophenyl)-4-methoxy-5-(trifluoromethyl)pyrazole-3-carboxylic acid Traditional Name: 2-(3-cyanophenyl)-4-methoxy-5-(trifluoromethyl)pyrazole-3-carboxylic acid Formula: C13H8F3N3O3 MolecularWeight: 311.21613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N(N=C1C(F)(F)F)C2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

COC1=C(N(N=C1C(F)(F)F)C2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C13H8F3N3O3/c1-22-10-9(12(20)21)19(18-11(10)13(14,15)16)8-4-2-3-7(5-8)6-17/h2-5H,1H3,(H,20,21)