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

Systemtic Name: sodium 4-[[2-cyano-5-(hexylamino)-5-oxidanylidene-pentan-2-yl]diazenyl]-4-isocyano-pentanoate Openeye Name: sodium 4-[1-cyano-4-(hexylamino)-1-methyl-4-oxo-butyl]azo-4-isocyano-pentanoate CAS Name: sodium 4-[2-cyano-5-(hexylamino)-5-oxopentan-2-yl]azo-4-isocyanopentanoate IUPAC Name: sodium 4-[[2-cyano-5-(hexylamino)-5-oxopentan-2-yl]diazenyl]-4-isocyanopentanoate Traditional Name: sodium 4-[1-cyano-4-(hexylamino)-4-keto-1-methyl-butyl]azo-4-isocyano-valerate Formula: C18H28N5NaO3 MolecularWeight: 385.43639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O3.Na/c1-5-6-7-8-13-21-15(24)9-11-17(2,14-19)22-23-18(3,20-4)12-10-16(25)26;/h5-13H2,1-3H3,(H,21,24)(H,25,26);/q;+1/p-1