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

Systemtic Name: 2-[4-(3-bromophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[4-(3-bromophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[4-(3-bromophenyl)-1-pyrimidin-1-iumyl]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[4-(3-bromophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[4-(3-bromophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Formula: C18H13BrN3O3+ MolecularWeight: 399.21812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN3O3/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/q+1