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

Systemtic Name: 2-cyano-3-(1,2,4-triazol-1-yl)propanoic acid Openeye Name: 2-cyano-3-(1,2,4-triazol-1-yl)propanoic acid CAS Name: 2-cyano-3-(1,2,4-triazol-1-yl)propanoic acid IUPAC Name: 2-cyano-3-(1,2,4-triazol-1-yl)propanoic acid Traditional Name: 2-cyano-3-(1,2,4-triazol-1-yl)propionic acid Formula: C6H6N4O2 MolecularWeight: 166.13744

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C=N1)CC(C#N)C(=O)O

Isomeric SMILES

C1=NN(C=N1)CC(C#N)C(=O)O

InChI

InChI=1S/C6H6N4O2/c7-1-5(6(11)12)2-10-4-8-3-9-10/h3-5H,2H2,(H,11,12)