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

Systemtic Name: 3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate Openeye Name: 3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate CAS Name: 3-methyl-4-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]benzoate IUPAC Name: 3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate Traditional Name: 3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate Formula: C13H13N4O3- MolecularWeight: 273.26732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CCN2C=NC=N2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CCN2C=NC=N2

InChI

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