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

Systemtic Name: 1-(3-nitrophenyl)-2-pyrazin-1-ium-1-yl-ethanone bromide Openeye Name: 1-(3-nitrophenyl)-2-pyrazin-1-ium-1-yl-ethanone bromide CAS Name: 1-(3-nitrophenyl)-2-(1-pyrazin-1-iumyl)ethanone bromide IUPAC Name: 1-(3-nitrophenyl)-2-pyrazin-1-ium-1-ylethanone bromide Traditional Name: 1-(3-nitrophenyl)-2-pyrazin-1-ium-1-yl-ethanone bromide Formula: C12H10BrN3O3 MolecularWeight: 324.1301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N3O3.BrH/c16-12(9-14-6-4-13-5-7-14)10-2-1-3-11(8-10)15(17)18;/h1-8H,9H2;1H/q+1;/p-1