2-(1H-1,2,4-triazol-5-yl)benzoate

Systemtic Name: 2-(1H-1,2,4-triazol-5-yl)benzoate Openeye Name: 2-(1H-1,2,4-triazol-5-yl)benzoate CAS Name: 2-(1H-1,2,4-triazol-5-yl)benzoate IUPAC Name: 2-(1H-1,2,4-triazol-5-yl)benzoate Traditional Name: 2-(1H-1,2,4-triazol-5-yl)benzoate Formula: C9H6N3O2- MolecularWeight: 188.16284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC=NN2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC=NN2)C(=O)[O-]

InChI

InChI=1S/C9H7N3O2/c13-9(14)7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,13,14)(H,10,11,12)/p-1