2-phenyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]ethanoic acid

Systemtic Name: 2-phenyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]ethanoic acid Openeye Name: 2-phenyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]acetic acid CAS Name: 2-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]-2-phenylacetic acid IUPAC Name: 2-phenyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]acetic acid Traditional Name: 2-phenyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]acetic acid Formula: C13H14N4O3 MolecularWeight: 274.27526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3/c1-9(17-8-14-7-15-17)12(18)16-11(13(19)20)10-5-3-2-4-6-10/h2-9,11H,1H3,(H,16,18)(H,19,20)