4-(3-methylpyridin-1-ium-1-yl)-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(3-methylpyridin-1-ium-1-yl)-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-(3-methylpyridin-1-ium-1-yl)-5-nitro-phthalonitrile CAS Name: 4-(3-methyl-1-pyridin-1-iumyl)-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-(3-methylpyridin-1-ium-1-yl)-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-(3-methylpyridin-1-ium-1-yl)-5-nitro-phthalonitrile Formula: C14H9N4O2+ MolecularWeight: 265.24686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H9N4O2/c1-10-3-2-4-17(9-10)13-5-11(7-15)12(8-16)6-14(13)18(19)20/h2-6,9H,1H3/q+1