4-cyano-4-[(2-cyano-5-oxidanyl-5-oxidanylidene-pentan-2-yl)diazenyl]pentanoic acid; 2-[(2-cyano-1-oxidanyl-propan-2-yl)diazenyl]-2-methyl-3-oxidanyl-propanenitrile

Systemtic Name: 4-cyano-4-[(2-cyano-5-oxidanyl-5-oxidanylidene-pentan-2-yl)diazenyl]pentanoic acid; 2-[(2-cyano-1-oxidanyl-propan-2-yl)diazenyl]-2-methyl-3-oxidanyl-propanenitrile Openeye Name: 4-cyano-4-(1-cyano-4-hydroxy-1-methyl-4-oxo-butyl)azo-pentanoic acid; 2-(1-cyano-2-hydroxy-1-methyl-ethyl)azo-3-hydroxy-2-methyl-propanenitrile CAS Name: 4-cyano-4-(2-cyano-5-hydroxy-5-oxopentan-2-yl)azopentanoic acid; 2-(2-cyano-1-hydroxypropan-2-yl)azo-3-hydroxy-2-methylpropanenitrile IUPAC Name: 4-cyano-4-[(2-cyano-5-hydroxy-5-oxopentan-2-yl)diazenyl]pentanoic acid; 2-[(2-cyano-1-hydroxypropan-2-yl)diazenyl]-3-hydroxy-2-methylpropanenitrile Traditional Name: 4-cyano-4-(1-cyano-4-hydroxy-4-keto-1-methyl-butyl)azo-valeric acid; 2-(1-cyano-2-hydroxy-1-methyl-ethyl)azo-3-hydroxy-2-methyl-propionitrile Formula: C20H28N8O6 MolecularWeight: 476.48632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4.C8H12N4O2/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20;1-7(3-9,5-13)11-12-8(2,4-10)6-14/h3-6H2,1-2H3,(H,17,18)(H,19,20);13-14H,5-6H2,1-2H3