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

Systemtic Name: ethyl 4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid ethyl ester Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3/c1-2-21-14(20)11-3-5-12(6-4-11)17-13(19)7-8-18-10-15-9-16-18/h3-6,9-10H,2,7-8H2,1H3,(H,17,19)