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

Systemtic Name: propyl 4-[2-(1,2,4-triazol-1-yl)ethanoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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