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

Systemtic Name: 1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid bromide Openeye Name: 1-[2-(4-nitrophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylic acid bromide CAS Name: 1-[2-(4-nitrophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid bromide IUPAC Name: 1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid bromide Traditional Name: 1-[2-keto-2-(4-nitrophenyl)ethyl]pyridin-1-ium-3-carboxylic acid bromide Formula: C14H11BrN2O5 MolecularWeight: 367.15154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O5.BrH/c17-13(10-3-5-12(6-4-10)16(20)21)9-15-7-1-2-11(8-15)14(18)19;/h1-8H,9H2;1H