N-[(E)-(1-methylpyridin-1-ium-3-yl)methylideneamino]-4-nitro-aniline iodide

Systemtic Name: N-[(E)-(1-methylpyridin-1-ium-3-yl)methylideneamino]-4-nitro-aniline iodide Openeye Name: N-[(E)-(1-methylpyridin-1-ium-3-yl)methyleneamino]-4-nitro-aniline iodide CAS Name: N-[(E)-(1-methyl-3-pyridin-1-iumyl)methylideneamino]-4-nitroaniline iodide IUPAC Name: N-[(E)-(1-methylpyridin-1-ium-3-yl)methylideneamino]-4-nitroaniline iodide Traditional Name: [(E)-(1-methylpyridin-1-ium-3-yl)methyleneamino]-(4-nitrophenyl)amine iodide Formula: C13H13IN4O2 MolecularWeight: 384.17239

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C=NNC2=CC=C(C=C2)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)/C=N/NC2=CC=C(C=C2)[N+](=O)[O-].[I-]

InChI

InChI=1S/C13H13N4O2.HI/c1-16-8-2-3-11(10-16)9-14-15-12-4-6-13(7-5-12)17(18)19;/h2-10,15H,1H3;1H/q+1;/p-1/b14-9+;