sodium 4-[[2-cyano-5-oxidanylidene-5-(propylamino)pentan-2-yl]diazenyl]-4-isocyano-pentanoate

Systemtic Name: sodium 4-[[2-cyano-5-oxidanylidene-5-(propylamino)pentan-2-yl]diazenyl]-4-isocyano-pentanoate Openeye Name: sodium 4-[1-cyano-1-methyl-4-oxo-4-(propylamino)butyl]azo-4-isocyano-pentanoate CAS Name: sodium 4-[2-cyano-5-oxo-5-(propylamino)pentan-2-yl]azo-4-isocyanopentanoate IUPAC Name: sodium 4-[[2-cyano-5-oxo-5-(propylamino)pentan-2-yl]diazenyl]-4-isocyanopentanoate Traditional Name: sodium 4-[1-cyano-4-keto-1-methyl-4-(propylamino)butyl]azo-4-isocyano-valerate Formula: C15H22N5NaO3 MolecularWeight: 343.35665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N5O3.Na/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);/q;+1/p-1