4-cyano-4-[(1-cyano-2-methyl-4-oxidanyl-4-oxidanylidene-butyl)diazenyl]-3-methyl-butanoic acid

Systemtic Name: 4-cyano-4-[(1-cyano-2-methyl-4-oxidanyl-4-oxidanylidene-butyl)diazenyl]-3-methyl-butanoic acid Openeye Name: 4-cyano-4-(1-cyano-4-hydroxy-2-methyl-4-oxo-butyl)azo-3-methyl-butanoic acid CAS Name: 4-cyano-4-(1-cyano-4-hydroxy-2-methyl-4-oxobutyl)azo-3-methylbutanoic acid IUPAC Name: 4-cyano-4-[(1-cyano-4-hydroxy-2-methyl-4-oxobutyl)diazenyl]-3-methylbutanoic acid Traditional Name: 4-cyano-4-(1-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)C(C#N)N=NC(C#N)C(C)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4/c1-7(3-11(17)18)9(5-13)15-16-10(6-14)8(2)4-12(19)20/h7-10H,3-4H2,1-2H3,(H,17,18)(H,19,20)