2-[5-(cyanomethyl)-1H-1,2,4-triazol-3-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[5-(cyanomethyl)-1H-1,2,4-triazol-3-yl]-2-methyl-propanoic acid Openeye Name: 2-[5-(cyanomethyl)-1H-1,2,4-triazol-3-yl]-2-methyl-propanoic acid CAS Name: 2-[5-(cyanomethyl)-1H-1,2,4-triazol-3-yl]-2-methylpropanoic acid IUPAC Name: 2-[5-(cyanomethyl)-1H-1,2,4-triazol-3-yl]-2-methylpropanoic acid Traditional Name: 2-[5-(cyanomethyl)-1H-1,2,4-triazol-3-yl]-2-methyl-propionic acid Formula: C8H10N4O2 MolecularWeight: 194.1906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N4O2/c1-8(2,7(13)14)6-10-5(3-4-9)11-12-6/h3H2,1-2H3,(H,13,14)(H,10,11,12)