4-[[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]diazenyl]-2,5-dimethoxy-benzenediazonium chloride

Systemtic Name: 4-[[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]diazenyl]-2,5-dimethoxy-benzenediazonium chloride Openeye Name: 2,5-dimethoxy-4-[2-oxo-1-(phenylcarbamoyl)propyl]azo-benzenediazonium chloride CAS Name: 4-(1-anilino-1,3-dioxobutan-2-yl)azo-2,5-dimethoxybenzenediazonium chloride IUPAC Name: 4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-2,5-dimethoxybenzenediazonium chloride Traditional Name: 4-[2-keto-1-(phenylcarbamoyl)propyl]azo-2,5-dimethoxy-benzenediazonium chloride Formula: C18H18ClN5O4 MolecularWeight: 403.81962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=CC(=C(C=C2OC)[N+]#N)OC.[Cl-]

Isomeric SMILES

CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=CC(=C(C=C2OC)[N+]#N)OC.[Cl-]

InChI

InChI=1S/C18H17N5O4.ClH/c1-11(24)17(18(25)20-12-7-5-4-6-8-12)23-22-14-10-15(26-2)13(21-19)9-16(14)27-3;/h4-10,17H,1-3H3;1H