2-(2-azanylpyrimidin-1-ium-1-yl)-1-(4-iodanyl-3-nitro-phenyl)ethanone

Systemtic Name: 2-(2-azanylpyrimidin-1-ium-1-yl)-1-(4-iodanyl-3-nitro-phenyl)ethanone Openeye Name: 2-(2-aminopyrimidin-1-ium-1-yl)-1-(4-iodo-3-nitro-phenyl)ethanone CAS Name: 2-(2-amino-1-pyrimidin-1-iumyl)-1-(4-iodo-3-nitrophenyl)ethanone IUPAC Name: 2-(2-aminopyrimidin-1-ium-1-yl)-1-(4-iodo-3-nitrophenyl)ethanone Traditional Name: 2-(2-aminopyrimidin-1-ium-1-yl)-1-(4-iodo-3-nitro-phenyl)ethanone Formula: C12H10IN4O3+ MolecularWeight: 385.13727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C([N+](=C1)CC(=O)C2=CC(=C(C=C2)I)[N+](=O)[O-])N

Isomeric SMILES

C1=CN=C([N+](=C1)CC(=O)C2=CC(=C(C=C2)I)[N+](=O)[O-])N

InChI

InChI=1S/C12H9IN4O3/c13-9-3-2-8(6-10(9)17(19)20)11(18)7-16-5-1-4-15-12(16)14/h1-6,14H,7H2/p+1