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

Systemtic Name: 2-[4-(4-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[4-(4-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[4-(4-chlorophenyl)-1-pyrimidin-1-iumyl]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[4-(4-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[4-(4-chlorophenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Formula: C18H13ClN3O3+ MolecularWeight: 354.76712

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN3O3/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/q+1