2-(4-methylphthalazin-2-ium-2-yl)-1-(4-nitrophenyl)ethanone bromide

Systemtic Name: 2-(4-methylphthalazin-2-ium-2-yl)-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(4-methylphthalazin-2-ium-2-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(4-methyl-2-phthalazin-2-iumyl)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(4-methylphthalazin-2-ium-2-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(4-methylphthalazin-2-ium-2-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=CC2=CC=CC=C12)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=N[N+](=CC2=CC=CC=C12)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H14N3O3.BrH/c1-12-16-5-3-2-4-14(16)10-19(18-12)11-17(21)13-6-8-15(9-7-13)20(22)23;/h2-10H,11H2,1H3;1H/q+1;/p-1