ethyl (2E)-2-[(1-phenacylpyridin-1-ium-4-yl)carbonylhydrazinylidene]propanoate bromide

Systemtic Name: ethyl (2E)-2-[(1-phenacylpyridin-1-ium-4-yl)carbonylhydrazinylidene]propanoate bromide Openeye Name: ethyl (2E)-2-[(1-phenacylpyridin-1-ium-4-carbonyl)hydrazono]propanoate bromide CAS Name: (2E)-2-[[oxo-(1-phenacyl-4-pyridin-1-iumyl)methyl]hydrazinylidene]propanoic acid ethyl ester bromide IUPAC Name: ethyl (2E)-2-[(1-phenacylpyridin-1-ium-4-carbonyl)hydrazinylidene]propanoate bromide Traditional Name: (2E)-2-[(1-phenacylpyridin-1-ium-4-carbonyl)hydrazono]propionic acid ethyl ester bromide Formula: C19H20BrN3O4 MolecularWeight: 434.2838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NNC(=O)C1=CC=[N+](C=C1)CC(=O)C2=CC=CC=C2)C.[Br-]

Isomeric SMILES

CCOC(=O)/C(=N/NC(=O)C1=CC=[N+](C=C1)CC(=O)C2=CC=CC=C2)/C.[Br-]

InChI

InChI=1S/C19H19N3O4.BrH/c1-3-26-19(25)14(2)20-21-18(24)16-9-11-22(12-10-16)13-17(23)15-7-5-4-6-8-15;/h4-12H,3,13H2,1-2H3;1H