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

Systemtic Name: 4-[[2-cyano-5-oxidanylidene-5-(propylamino)pentan-2-yl]diazenyl]-4-isocyano-pentanoic acid Openeye Name: 4-[1-cyano-1-methyl-4-oxo-4-(propylamino)butyl]azo-4-isocyano-pentanoic acid CAS Name: 4-[2-cyano-5-oxo-5-(propylamino)pentan-2-yl]azo-4-isocyanopentanoic acid IUPAC Name: 4-[[2-cyano-5-oxo-5-(propylamino)pentan-2-yl]diazenyl]-4-isocyanopentanoic acid Traditional Name: 4-[1-cyano-4-keto-1-methyl-4-(propylamino)butyl]azo-4-isocyano-valeric acid Formula: C15H23N5O3 MolecularWeight: 321.37482

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)O)[N+]#[C-]

Isomeric SMILES

CCCNC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)O)[N+]#[C-]

InChI

InChI=1S/C15H23N5O3/c1-5-10-18-12(21)6-8-14(2,11-16)19-20-15(3,17-4)9-7-13(22)23/h5-10H2,1-3H3,(H,18,21)(H,22,23)