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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCN2C=CN=N2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCN2C=CN=N2

InChI

InChI=1S/C13H14N4O3/c1-20-13(19)10-4-2-3-5-11(10)15-12(18)6-8-17-9-7-14-16-17/h2-5,7,9H,6,8H2,1H3,(H,15,18)