2-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: 2-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: 2-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 2-(1,2,4-triazol-1-ylmethyl)benzoate IUPAC Name: 2-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 2-(1,2,4-triazol-1-ylmethyl)benzoate Formula: C10H8N3O2- MolecularWeight: 202.18942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=NC=N2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=NC=N2)C(=O)[O-]

InChI

InChI=1S/C10H9N3O2/c14-10(15)9-4-2-1-3-8(9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15)/p-1