1-(3-nitrophenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone Openeye Name: 1-(3-nitrophenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone CAS Name: 1-(3-nitrophenyl)-2-(4-phenyl-1-pyrimidin-1-iumyl)ethanone IUPAC Name: 1-(3-nitrophenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone Traditional Name: 1-(3-nitrophenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone Formula: C18H14N3O3+ MolecularWeight: 320.32206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N3O3/c22-18(15-7-4-8-16(11-15)21(23)24)12-20-10-9-17(19-13-20)14-5-2-1-3-6-14/h1-11,13H,12H2/q+1