2-(3-cyano-4-fluoranyl-phenyl)-5-(trifluoromethyl)-3H-pyrazole-1-carboxylic acid

Systemtic Name: 2-(3-cyano-4-fluoranyl-phenyl)-5-(trifluoromethyl)-3H-pyrazole-1-carboxylic acid Openeye Name: 2-(3-cyano-4-fluoro-phenyl)-5-(trifluoromethyl)-3H-pyrazole-1-carboxylic acid CAS Name: 2-(3-cyano-4-fluorophenyl)-5-(trifluoromethyl)-3H-pyrazole-1-carboxylic acid IUPAC Name: 2-(3-cyano-4-fluorophenyl)-5-(trifluoromethyl)-3H-pyrazole-1-carboxylic acid Traditional Name: 2-(3-cyano-4-fluoro-phenyl)-5-(trifluoromethyl)-3-pyrazoline-1-carboxylic acid Formula: C12H7F4N3O2 MolecularWeight: 301.196493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N(N1C2=CC(=C(C=C2)F)C#N)C(=O)O)C(F)(F)F

Isomeric SMILES

C1C=C(N(N1C2=CC(=C(C=C2)F)C#N)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H7F4N3O2/c13-9-2-1-8(5-7(9)6-17)18-4-3-10(12(14,15)16)19(18)11(20)21/h1-3,5H,4H2,(H,20,21)