2-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenyl]ethanoate

Systemtic Name: 2-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenyl]ethanoate Openeye Name: 2-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenyl]acetate CAS Name: 2-[4-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]phenyl]acetate IUPAC Name: 2-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenyl]acetate Traditional Name: 2-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenyl]acetate Formula: C13H13N4O3- MolecularWeight: 273.26732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)[O-])NC(=O)CCN2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1CC(=O)[O-])NC(=O)CCN2C=NC=N2

InChI

InChI=1S/C13H14N4O3/c18-12(5-6-17-9-14-8-15-17)16-11-3-1-10(2-4-11)7-13(19)20/h1-4,8-9H,5-7H2,(H,16,18)(H,19,20)/p-1