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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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