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

Systemtic Name: 2-[(1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)diazenyl]-2-methyl-propanamide; 4-cyano-4-[(2-cyano-5-oxidanyl-5-oxidanylidene-pentan-2-yl)diazenyl]pentanoic acid; dihydrate Openeye Name: 2-(2-amino-1,1-dimethyl-2-oxo-ethyl)azo-2-methyl-propanamide; 4-cyano-4-(1-cyano-4-hydroxy-1-methyl-4-oxo-butyl)azo-pentanoic acid; dihydrate CAS Name: 2-(1-amino-2-methyl-1-oxopropan-2-yl)azo-2-methylpropanamide; 4-cyano-4-(2-cyano-5-hydroxy-5-oxopentan-2-yl)azopentanoic acid; dihydrate IUPAC Name: 2-[(1-amino-2-methyl-1-oxopropan-2-yl)diazenyl]-2-methylpropanamide; 4-cyano-4-[(2-cyano-5-hydroxy-5-oxopentan-2-yl)diazenyl]pentanoic acid; dihydrate Traditional Name: 2-(2-amino-2-keto-1,1-dimethyl-ethyl)azo-2-methyl-propionamide; 4-cyano-4-(1-cyano-4-hydroxy-4-keto-1-methyl-butyl)azo-valeric acid; dihydrate Formula: C20H36N8O8 MolecularWeight: 516.54864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4.C8H16N4O2.2H2O/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20;1-7(2,5(9)13)11-12-8(3,4)6(10)14;;/h3-6H2,1-2H3,(H,17,18)(H,19,20);1-4H3,(H2,9,13)(H2,10,14);2*1H2