2-(3,5-dimethyl-1,2,4-triazol-4-yl)benzoic acid

Systemtic Name: 2-(3,5-dimethyl-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 2-(3,5-dimethyl-1,2,4-triazol-4-yl)benzoic acid CAS Name: 2-(3,5-dimethyl-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 2-(3,5-dimethyl-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 2-(3,5-dimethyl-1,2,4-triazol-4-yl)benzoic acid Formula: C11H11N3O2 MolecularWeight: 217.22394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C11H11N3O2/c1-7-12-13-8(2)14(7)10-6-4-3-5-9(10)11(15)16/h3-6H,1-2H3,(H,15,16)