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

Systemtic Name: ethyl 4-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoate Traditional Name: 4-[2-(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)C(C)N2C=NC=N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2C=NC=N2

InChI

InChI=1S/C14H16N4O3/c1-3-21-14(20)11-4-6-12(7-5-11)17-13(19)10(2)18-9-15-8-16-18/h4-10H,3H2,1-2H3,(H,17,19)