2-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]ethanoate

Systemtic Name: 2-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: 2-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]acetate CAS Name: 2-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]acetate IUPAC Name: 2-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]acetate Traditional Name: 2-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]acetate Formula: C6H5N6O2- MolecularWeight: 193.1429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NN=CN1C2=NNC(=N2)CC(=O)[O-]

Isomeric SMILES

C1=NN=CN1C2=NNC(=N2)CC(=O)[O-]

InChI

InChI=1S/C6H6N6O2/c13-5(14)1-4-9-6(11-10-4)12-2-7-8-3-12/h2-3H,1H2,(H,13,14)(H,9,10,11)/p-1