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

Systemtic Name: 1-(4-nitrophenyl)-2-phthalazin-2-ium-2-yl-ethanone bromide Openeye Name: 1-(4-nitrophenyl)-2-phthalazin-2-ium-2-yl-ethanone bromide CAS Name: 1-(4-nitrophenyl)-2-(2-phthalazin-2-iumyl)ethanone bromide IUPAC Name: 1-(4-nitrophenyl)-2-phthalazin-2-ium-2-ylethanone bromide Traditional Name: 1-(4-nitrophenyl)-2-phthalazin-2-ium-2-yl-ethanone bromide Formula: C16H12BrN3O3 MolecularWeight: 374.18878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](N=CC2=C1)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](N=CC2=C1)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

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