2-(4-cyano-1,2,3-triazol-1-yl)butanoic acid

Systemtic Name: 2-(4-cyano-1,2,3-triazol-1-yl)butanoic acid Openeye Name: 2-(4-cyanotriazol-1-yl)butanoic acid CAS Name: 2-(4-cyano-1-triazolyl)butanoic acid IUPAC Name: 2-(4-cyanotriazol-1-yl)butanoic acid Traditional Name: 2-(4-cyanotriazol-1-yl)butyric acid Formula: C7H8N4O2 MolecularWeight: 180.16402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C=C(N=N1)C#N

Isomeric SMILES

CCC(C(=O)O)N1C=C(N=N1)C#N

InChI

InChI=1S/C7H8N4O2/c1-2-6(7(12)13)11-4-5(3-8)9-10-11/h4,6H,2H2,1H3,(H,12,13)