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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)N2C=NC=N2

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)N2C=NC=N2

InChI

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