N2-(1-methylpyridin-1-ium-2-yl)-4-nitro-benzene-1,2-diamine iodide

Systemtic Name: N2-(1-methylpyridin-1-ium-2-yl)-4-nitro-benzene-1,2-diamine iodide Openeye Name: N2-(1-methylpyridin-1-ium-2-yl)-4-nitro-benzene-1,2-diamine iodide CAS Name: N2-(1-methyl-2-pyridin-1-iumyl)-4-nitrobenzene-1,2-diamine iodide IUPAC Name: 2-N-(1-methylpyridin-1-ium-2-yl)-4-nitrobenzene-1,2-diamine iodide Traditional Name: (2-amino-5-nitro-phenyl)-(1-methylpyridin-1-ium-2-yl)amine iodide Formula: C12H13IN4O2 MolecularWeight: 372.16169

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1NC2=C(C=CC(=C2)[N+](=O)[O-])N.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1NC2=C(C=CC(=C2)[N+](=O)[O-])N.[I-]

InChI

InChI=1S/C12H12N4O2.HI/c1-15-7-3-2-4-12(15)14-11-8-9(16(17)18)5-6-10(11)13;/h2-8H,13H2,1H3;1H