2-cyano-2-[(2-cyano-1-oxidanylidene-propan-2-yl)diazenyl]propanoic acid

Systemtic Name: 2-cyano-2-[(2-cyano-1-oxidanylidene-propan-2-yl)diazenyl]propanoic acid Openeye Name: 2-cyano-2-(1-cyano-1-methyl-2-oxo-ethyl)azo-propanoic acid CAS Name: 2-cyano-2-(2-cyano-1-oxopropan-2-yl)azopropanoic acid IUPAC Name: 2-cyano-2-[(2-cyano-1-oxopropan-2-yl)diazenyl]propanoic acid Traditional Name: 2-cyano-2-(1-cyano-2-keto-1-methyl-ethyl)azo-propionic acid Formula: C8H8N4O3 MolecularWeight: 208.17412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)(C#N)N=NC(C)(C#N)C(=O)O

Isomeric SMILES

CC(C=O)(C#N)N=NC(C)(C#N)C(=O)O

InChI

InChI=1S/C8H8N4O3/c1-7(3-9,5-13)11-12-8(2,4-10)6(14)15/h5H,1-2H3,(H,14,15)