2-[(3,4-dimethyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]benzoic acid

Systemtic Name: 2-[(3,4-dimethyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]benzoic acid Openeye Name: 2-[(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid CAS Name: 2-[(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid IUPAC Name: 2-[(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid Traditional Name: 2-[(5-keto-3,4-dimethyl-1,2,4-triazol-1-yl)methyl]benzoic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=NN(C(=O)N1C)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H13N3O3/c1-8-13-15(12(18)14(8)2)7-9-5-3-4-6-10(9)11(16)17/h3-6H,7H2,1-2H3,(H,16,17)