2-(3-cyanophenyl)-5-(trifluoromethyl)-3H-pyrazole-1-carboxylic acid

Systemtic Name: 2-(3-cyanophenyl)-5-(trifluoromethyl)-3H-pyrazole-1-carboxylic acid Openeye Name: 2-(3-cyanophenyl)-5-(trifluoromethyl)-3H-pyrazole-1-carboxylic acid CAS Name: 2-(3-cyanophenyl)-5-(trifluoromethyl)-3H-pyrazole-1-carboxylic acid IUPAC Name: 2-(3-cyanophenyl)-5-(trifluoromethyl)-3H-pyrazole-1-carboxylic acid Traditional Name: 2-(3-cyanophenyl)-5-(trifluoromethyl)-3-pyrazoline-1-carboxylic acid Formula: C12H8F3N3O2 MolecularWeight: 283.20603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8F3N3O2/c13-12(14,15)10-4-5-17(18(10)11(19)20)9-3-1-2-8(6-9)7-16/h1-4,6H,5H2,(H,19,20)