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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3/c1-20-13(19)10-2-4-11(5-3-10)16-12(18)6-7-17-9-14-8-15-17/h2-5,8-9H,6-7H2,1H3,(H,16,18)