N-(2-nitrophenyl)-4-oxidanylidene-6-(2-pyridin-1-ium-1-ylethanoylhydrazinylidene)octanamide chloride

Systemtic Name: N-(2-nitrophenyl)-4-oxidanylidene-6-(2-pyridin-1-ium-1-ylethanoylhydrazinylidene)octanamide chloride Openeye Name: N-(2-nitrophenyl)-4-oxo-6-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]octanamide chloride CAS Name: N-(2-nitrophenyl)-4-oxo-6-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]hydrazinylidene]octanamide chloride IUPAC Name: N-(2-nitrophenyl)-4-oxo-6-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]octanamide chloride Traditional Name: 4-keto-N-(2-nitrophenyl)-6-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]caprylamide chloride Formula: C21H24ClN5O5 MolecularWeight: 461.89876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C[N+]1=CC=CC=C1)CC(=O)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCC(=NNC(=O)C[N+]1=CC=CC=C1)CC(=O)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C21H23N5O5.ClH/c1-2-16(23-24-21(29)15-25-12-6-3-7-13-25)14-17(27)10-11-20(28)22-18-8-4-5-9-19(18)26(30)31;/h3-9,12-13H,2,10-11,14-15H2,1H3,(H-,22,24,28,29);1H