5-cyano-3-[(5-cyano-1-oxidanyl-1-oxidanylidene-hexan-3-yl)diazenyl]hexanoic acid

Systemtic Name: 5-cyano-3-[(5-cyano-1-oxidanyl-1-oxidanylidene-hexan-3-yl)diazenyl]hexanoic acid Openeye Name: 3-[1-(carboxymethyl)-3-cyano-butyl]azo-5-cyano-hexanoic acid CAS Name: 5-cyano-3-(5-cyano-1-hydroxy-1-oxohexan-3-yl)azohexanoic acid IUPAC Name: 5-cyano-3-[(5-cyano-1-hydroxy-1-oxohexan-3-yl)diazenyl]hexanoic acid Traditional Name: 3-[1-(carboxymethyl)-3-cyano-butyl]azo-5-cyano-hexanoic acid Formula: C14H20N4O4 MolecularWeight: 308.333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4/c1-9(7-15)3-11(5-13(19)20)17-18-12(6-14(21)22)4-10(2)8-16/h9-12H,3-6H2,1-2H3,(H,19,20)(H,21,22)