1-(4-nitrophenyl)-2-(8-oxidanylquinolin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-nitrophenyl)-2-(8-oxidanylquinolin-1-ium-1-yl)ethanone bromide Openeye Name: 2-(8-hydroxyquinolin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(8-hydroxy-1-quinolin-1-iumyl)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(8-hydroxyquinolin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(8-hydroxyquinolin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C17H13BrN2O4 MolecularWeight: 389.20012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)[N+](=CC=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC2=C(C(=C1)O)[N+](=CC=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H12N2O4.BrH/c20-15-5-1-3-13-4-2-10-18(17(13)15)11-16(21)12-6-8-14(9-7-12)19(22)23;/h1-10H,11H2;1H