2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide

Systemtic Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-[4-(3-chlorophenyl)-1-pyrimidin-1-iumyl]-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Formula: C18H13BrClN3O3 MolecularWeight: 434.67112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN3O3.BrH/c19-15-5-1-3-13(9-15)17-7-8-21(12-20-17)11-18(23)14-4-2-6-16(10-14)22(24)25;/h1-10,12H,11H2;1H/q+1;/p-1