4-[5-(4-methylphenyl)-1,2,3-triazol-1-yl]benzoic acid

Systemtic Name: 4-[5-(4-methylphenyl)-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 4-[5-(p-tolyl)triazol-1-yl]benzoic acid CAS Name: 4-[5-(4-methylphenyl)-1-triazolyl]benzoic acid IUPAC Name: 4-[5-(4-methylphenyl)triazol-1-yl]benzoic acid Traditional Name: 4-[5-(p-tolyl)triazol-1-yl]benzoic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13N3O2/c1-11-2-4-12(5-3-11)15-10-17-18-19(15)14-8-6-13(7-9-14)16(20)21/h2-10H,1H3,(H,20,21)