1-(3-nitrophenyl)-2-quinoxalin-1-ium-1-yl-ethanone bromide

Systemtic Name: 1-(3-nitrophenyl)-2-quinoxalin-1-ium-1-yl-ethanone bromide Openeye Name: 1-(3-nitrophenyl)-2-quinoxalin-1-ium-1-yl-ethanone bromide CAS Name: 1-(3-nitrophenyl)-2-(1-quinoxalin-1-iumyl)ethanone bromide IUPAC Name: 1-(3-nitrophenyl)-2-quinoxalin-1-ium-1-ylethanone bromide Traditional Name: 1-(3-nitrophenyl)-2-quinoxalin-1-ium-1-yl-ethanone bromide Formula: C16H12BrN3O3 MolecularWeight: 374.18878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC=[N+]2CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CC=[N+]2CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C16H12N3O3.BrH/c20-16(12-4-3-5-13(10-12)19(21)22)11-18-9-8-17-14-6-1-2-7-15(14)18;/h1-10H,11H2;1H/q+1;/p-1