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

Systemtic Name: 2-[2-(1,2,4-triazol-1-yl)ethanoylamino]benzoic acid Openeye Name: 2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid CAS Name: 2-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]benzoic acid IUPAC Name: 2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid Formula: C11H10N4O3 MolecularWeight: 246.2221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CN2C=NC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CN2C=NC=N2

InChI

InChI=1S/C11H10N4O3/c16-10(5-15-7-12-6-13-15)14-9-4-2-1-3-8(9)11(17)18/h1-4,6-7H,5H2,(H,14,16)(H,17,18)