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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCN2C=NC=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCN2C=NC=N2)C(=O)O

InChI

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