2-cyano-4-[(4-cyano-5-oxidanyl-5-oxidanylidene-pentan-2-yl)diazenyl]pentanoic acid

Systemtic Name: 2-cyano-4-[(4-cyano-5-oxidanyl-5-oxidanylidene-pentan-2-yl)diazenyl]pentanoic acid Openeye Name: 2-cyano-4-(3-cyano-4-hydroxy-1-methyl-4-oxo-butyl)azo-pentanoic acid CAS Name: 2-cyano-4-(4-cyano-5-hydroxy-5-oxopentan-2-yl)azopentanoic acid IUPAC Name: 2-cyano-4-[(4-cyano-5-hydroxy-5-oxopentan-2-yl)diazenyl]pentanoic acid Traditional Name: 2-cyano-4-(3-cyano-4-hydroxy-4-keto-1-methyl-butyl)azo-valeric acid Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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