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

Systemtic Name: 4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate Openeye Name: 4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]benzoate IUPAC Name: 4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate Formula: C12H11N4O3- MolecularWeight: 259.24074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)CCN2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)CCN2C=NC=N2

InChI

InChI=1S/C12H12N4O3/c17-11(5-6-16-8-13-7-14-16)15-10-3-1-9(2-4-10)12(18)19/h1-4,7-8H,5-6H2,(H,15,17)(H,18,19)/p-1