3-methyl-4-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid

Systemtic Name: 3-methyl-4-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid Openeye Name: 3-methyl-4-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid CAS Name: 3-methyl-4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid Traditional Name: 3-methyl-4-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid Formula: C13H14N4O3 MolecularWeight: 274.27526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C(C)N2C=NC=N2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C(C)N2C=NC=N2

InChI

InChI=1S/C13H14N4O3/c1-8-5-10(13(19)20)3-4-11(8)16-12(18)9(2)17-7-14-6-15-17/h3-7,9H,1-2H3,(H,16,18)(H,19,20)