2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-7-ium-7-yl)-1-(4-nitrophenyl)ethanone bromide

Systemtic Name: 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-7-ium-7-yl)-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-7-ium-7-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-7-ium-7-yl)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-7-ium-7-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-7-ium-7-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C15H14BrN3O3 MolecularWeight: 364.19396

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=C1C=CC=[N+]2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1CNC2=C1C=CC=[N+]2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C15H13N3O3.BrH/c19-14(11-3-5-13(6-4-11)18(20)21)10-17-9-1-2-12-7-8-16-15(12)17;/h1-6,9H,7-8,10H2;1H