3-cyano-4-[(2-cyano-2-methyl-4-oxidanyl-4-oxidanylidene-butyl)diazenyl]-3-methyl-butanoic acid

Systemtic Name: 3-cyano-4-[(2-cyano-2-methyl-4-oxidanyl-4-oxidanylidene-butyl)diazenyl]-3-methyl-butanoic acid Openeye Name: 3-cyano-4-(2-cyano-4-hydroxy-2-methyl-4-oxo-butyl)azo-3-methyl-butanoic acid CAS Name: 3-cyano-4-(2-cyano-4-hydroxy-2-methyl-4-oxobutyl)azo-3-methylbutanoic acid IUPAC Name: 3-cyano-4-[(2-cyano-4-hydroxy-2-methyl-4-oxobutyl)diazenyl]-3-methylbutanoic acid Traditional Name: 3-cyano-4-(2-cyano-4-hydroxy-4-keto-2-methyl-butyl)azo-3-methyl-butyric acid Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)(CN=NCC(C)(CC(=O)O)C#N)C#N

Isomeric SMILES

CC(CC(=O)O)(CN=NCC(C)(CC(=O)O)C#N)C#N

InChI

InChI=1S/C12H16N4O4/c1-11(5-13,3-9(17)18)7-15-16-8-12(2,6-14)4-10(19)20/h3-4,7-8H2,1-2H3,(H,17,18)(H,19,20)