N-(3-nitrophenyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanamide bromide

Systemtic Name: N-(3-nitrophenyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanamide bromide Openeye Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-(3-nitrophenyl)acetamide bromide CAS Name: 2-(4-benzoyl-1-pyridin-1-iumyl)-N-(3-nitrophenyl)acetamide bromide IUPAC Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-(3-nitrophenyl)acetamide bromide Traditional Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-(3-nitrophenyl)acetamide bromide Formula: C20H16BrN3O4 MolecularWeight: 442.26274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C20H15N3O4.BrH/c24-19(21-17-7-4-8-18(13-17)23(26)27)14-22-11-9-16(10-12-22)20(25)15-5-2-1-3-6-15;/h1-13H,14H2;1H