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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)(C(=O)O)N=NC(CCC)(C#N)C(=O)O

Isomeric SMILES

CCCC(C#N)(C(=O)O)N=NC(CCC)(C#N)C(=O)O

InChI

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