(4-nitrophenyl) 1-methylpyridin-1-ium-2-carboxylate iodide

Systemtic Name: (4-nitrophenyl) 1-methylpyridin-1-ium-2-carboxylate iodide Openeye Name: (4-nitrophenyl) 1-methylpyridin-1-ium-2-carboxylate iodide CAS Name: 1-methyl-2-pyridin-1-iumcarboxylic acid (4-nitrophenyl) ester iodide IUPAC Name: (4-nitrophenyl) 1-methylpyridin-1-ium-2-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-2-carboxylic acid (4-nitrophenyl) ester iodide Formula: C13H11IN2O4 MolecularWeight: 386.14191

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].[I-]

InChI

InChI=1S/C13H11N2O4.HI/c1-14-9-3-2-4-12(14)13(16)19-11-7-5-10(6-8-11)15(17)18;/h2-9H,1H3;1H/q+1;/p-1