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

Systemtic Name: 4-[[5-(butylamino)-2-cyano-5-oxidanylidene-pentan-2-yl]diazenyl]-4-cyano-pentanoic acid Openeye Name: 4-[4-(butylamino)-1-cyano-1-methyl-4-oxo-butyl]azo-4-cyano-pentanoic acid CAS Name: 4-[5-(butylamino)-2-cyano-5-oxopentan-2-yl]azo-4-cyanopentanoic acid IUPAC Name: 4-[[5-(butylamino)-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoic acid Traditional Name: 4-[4-(butylamino)-1-cyano-4-keto-1-methyl-butyl]azo-4-cyano-valeric acid Formula: C16H25N5O3 MolecularWeight: 335.4014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O3/c1-4-5-10-19-13(22)6-8-15(2,11-17)20-21-16(3,12-18)9-7-14(23)24/h4-10H2,1-3H3,(H,19,22)(H,23,24)