2-(2-cyanobutan-2-yldiazenyl)-2-methyl-butanenitrile; 4-cyano-4-[(2-cyano-5-oxidanyl-5-oxidanylidene-pentan-2-yl)diazenyl]pentanoic acid

Systemtic Name: 2-(2-cyanobutan-2-yldiazenyl)-2-methyl-butanenitrile; 4-cyano-4-[(2-cyano-5-oxidanyl-5-oxidanylidene-pentan-2-yl)diazenyl]pentanoic acid Openeye Name: 4-cyano-4-(1-cyano-4-hydroxy-1-methyl-4-oxo-butyl)azo-pentanoic acid; 2-(1-cyano-1-methyl-propyl)azo-2-methyl-butanenitrile CAS Name: 2-(2-cyanobutan-2-ylazo)-2-methylbutanenitrile; 4-cyano-4-(2-cyano-5-hydroxy-5-oxopentan-2-yl)azopentanoic acid IUPAC Name: 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile; 4-cyano-4-[(2-cyano-5-hydroxy-5-oxopentan-2-yl)diazenyl]pentanoic acid Traditional Name: 4-cyano-4-(1-cyano-4-hydroxy-4-keto-1-methyl-butyl)azo-valeric acid; 2-(1-cyano-1-methyl-propyl)azo-2-methyl-butyronitrile Formula: C22H32N8O4 MolecularWeight: 472.54068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4.C10H16N4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20;1-5-9(3,7-11)13-14-10(4,6-2)8-12/h3-6H2,1-2H3,(H,17,18)(H,19,20);5-6H2,1-4H3