5-bromanyl-1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid bromide

Systemtic Name: 5-bromanyl-1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid bromide Openeye Name: 5-bromo-1-[2-(4-nitrophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylic acid bromide CAS Name: 5-bromo-1-[2-(4-nitrophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid bromide IUPAC Name: 5-bromo-1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid bromide Traditional Name: 5-bromo-1-[2-keto-2-(4-nitrophenyl)ethyl]pyridin-1-ium-3-carboxylic acid bromide Formula: C14H10Br2N2O5 MolecularWeight: 446.0476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C[N+]2=CC(=CC(=C2)Br)C(=O)O)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C[N+]2=CC(=CC(=C2)Br)C(=O)O)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C14H9BrN2O5.BrH/c15-11-5-10(14(19)20)6-16(7-11)8-13(18)9-1-3-12(4-2-9)17(21)22;/h1-7H,8H2;1H