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

Systemtic Name: 2-[4-(4-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-[4-(4-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-[4-(4-chlorophenyl)-1-pyrimidin-1-iumyl]-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-[4-(4-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-[4-(4-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)[N+](=O)[O-])C(=O)C[N+]2=CN=C(C=C2)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C[N+]2=CN=C(C=C2)C3=CC=C(C=C3)Cl.[Br-]

InChI

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