1-[4-cyano-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-[4-cyano-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-[4-cyano-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-[4-cyano-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-[4-cyano-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-[4-cyano-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxylic acid Formula: C12H7F3N4O2 MolecularWeight: 296.20479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=C(C=C(C=C2)C#N)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=NC(=NN1C2=C(C=C(C=C2)C#N)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H7F3N4O2/c1-6-17-10(11(20)21)18-19(6)9-3-2-7(5-16)4-8(9)12(13,14)15/h2-4H,1H3,(H,20,21)