1-(4-nitrophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-nitrophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-nitrophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-nitrophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone bromide IUPAC Name: 1-(4-nitrophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-nitrophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone bromide Formula: C20H14BrN3O3 MolecularWeight: 424.24746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=CC=[N+]3CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C=C2)N=C1.[Br-]

Isomeric SMILES

C1=CC2=C(C3=C(C=CC=[N+]3CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C=C2)N=C1.[Br-]

InChI

InChI=1S/C20H14N3O3.BrH/c24-18(14-7-9-17(10-8-14)23(25)26)13-22-12-2-4-16-6-5-15-3-1-11-21-19(15)20(16)22;/h1-12H,13H2;1H/q+1;/p-1