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

Systemtic Name: 3-[2-(1,2,4-triazol-1-yl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]benzoic acid IUPAC Name: 3-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[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(=CC(=C1)NC(=O)CN2C=NC=N2)C(=O)O

Isomeric SMILES

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

InChI

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