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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC(=O)O)N2C=NC=N2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)CC(=O)O)N2C=NC=N2

InChI

InChI=1S/C13H14N4O3/c1-9(17-8-14-7-15-17)13(20)16-11-4-2-10(3-5-11)6-12(18)19/h2-5,7-9H,6H2,1H3,(H,16,20)(H,18,19)