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

Systemtic Name: 2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid Openeye Name: 2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid CAS Name: 2-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]benzoic acid IUPAC Name: 2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid Traditional Name: 2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)O)N2C=NC=N2

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)O)N2C=NC=N2

InChI

InChI=1S/C12H12N4O3/c1-8(16-7-13-6-14-16)11(17)15-10-5-3-2-4-9(10)12(18)19/h2-8H,1H3,(H,15,17)(H,18,19)