methyl 4-[(E)-(2-pyridin-1-ium-1-ylethanoylhydrazinylidene)methyl]benzoate chloride

Systemtic Name: methyl 4-[(E)-(2-pyridin-1-ium-1-ylethanoylhydrazinylidene)methyl]benzoate chloride Openeye Name: methyl 4-[(E)-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]methyl]benzoate chloride CAS Name: 4-[(E)-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]hydrazinylidene]methyl]benzoic acid methyl ester chloride IUPAC Name: methyl 4-[(E)-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]methyl]benzoate chloride Traditional Name: 4-[(E)-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]methyl]benzoic acid methyl ester chloride Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=O)C[N+]2=CC=CC=C2.[Cl-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C[N+]2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H15N3O3.ClH/c1-22-16(21)14-7-5-13(6-8-14)11-17-18-15(20)12-19-9-3-2-4-10-19;/h2-11H,12H2,1H3;1H