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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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