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

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

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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)