2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanoate

Systemtic Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanoate Openeye Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetate IUPAC Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetate Formula: C6H8N3O2- MolecularWeight: 154.14662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N1)C)CC(=O)[O-]

Isomeric SMILES

CC1=NN(C(=N1)C)CC(=O)[O-]

InChI

InChI=1S/C6H9N3O2/c1-4-7-5(2)9(8-4)3-6(10)11/h3H2,1-2H3,(H,10,11)/p-1