(3Z)-3-[(1-methylpyridin-1-ium-2-yl)methylidene]-4-nitro-isoindol-1-one iodide

Systemtic Name: (3Z)-3-[(1-methylpyridin-1-ium-2-yl)methylidene]-4-nitro-isoindol-1-one iodide Openeye Name: (3Z)-3-[(1-methylpyridin-1-ium-2-yl)methylene]-4-nitro-isoindolin-1-one iodide CAS Name: (3Z)-3-[(1-methyl-2-pyridin-1-iumyl)methylidene]-4-nitro-1-isoindolone iodide IUPAC Name: (3Z)-3-[(1-methylpyridin-1-ium-2-yl)methylidene]-4-nitroisoindol-1-one iodide Traditional Name: (3Z)-3-[(1-methylpyridin-1-ium-2-yl)methylene]-4-nitro-isoindolin-1-one iodide Formula: C15H12IN3O3 MolecularWeight: 409.17855

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=C2C3=C(C=CC=C3[N+](=O)[O-])C(=O)N2.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C\2/C3=C(C=CC=C3[N+](=O)[O-])C(=O)N2.[I-]

InChI

InChI=1S/C15H11N3O3.HI/c1-17-8-3-2-5-10(17)9-12-14-11(15(19)16-12)6-4-7-13(14)18(20)21;/h2-9H,1H3;1H