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

Systemtic Name: 2-(4-azanylpyridin-1-ium-1-yl)-1-(4-iodanyl-3-nitro-phenyl)ethanone Openeye Name: 2-(4-aminopyridin-1-ium-1-yl)-1-(4-iodo-3-nitro-phenyl)ethanone CAS Name: 2-(4-amino-1-pyridin-1-iumyl)-1-(4-iodo-3-nitrophenyl)ethanone IUPAC Name: 2-(4-aminopyridin-1-ium-1-yl)-1-(4-iodo-3-nitrophenyl)ethanone Traditional Name: 2-(4-aminopyridin-1-ium-1-yl)-1-(4-iodo-3-nitro-phenyl)ethanone Formula: C13H11IN3O3+ MolecularWeight: 384.14921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C[N+]2=CC=C(C=C2)N)[N+](=O)[O-])I

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C[N+]2=CC=C(C=C2)N)[N+](=O)[O-])I

InChI

InChI=1S/C13H10IN3O3/c14-11-2-1-9(7-12(11)17(19)20)13(18)8-16-5-3-10(15)4-6-16/h1-7,15H,8H2/p+1