4-cyano-2-[(4-cyano-1-oxidanyl-1-oxidanylidene-pentan-2-yl)diazenyl]pentanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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