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

Systemtic Name: 4-[3-(1,2,3-triazol-1-yl)propanoylamino]benzoic acid Openeye Name: 4-[3-(triazol-1-yl)propanoylamino]benzoic acid CAS Name: 4-[[1-oxo-3-(1-triazolyl)propyl]amino]benzoic acid IUPAC Name: 4-[3-(triazol-1-yl)propanoylamino]benzoic acid Traditional Name: 4-[3-(triazol-1-yl)propanoylamino]benzoic acid Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CCN2C=CN=N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CCN2C=CN=N2

InChI

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