ethyl 4-[2-(1,2,4-triazol-1-yl)ethanoylamino]benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC=N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC=N2

InChI

InChI=1S/C13H14N4O3/c1-2-20-13(19)10-3-5-11(6-4-10)16-12(18)7-17-9-14-8-15-17/h3-6,8-9H,2,7H2,1H3,(H,16,18)