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

Systemtic Name: N2-(1-methylpyridin-1-ium-2-yl)-4-nitro-benzene-1,2-diamine Openeye Name: N2-(1-methylpyridin-1-ium-2-yl)-4-nitro-benzene-1,2-diamine CAS Name: N2-(1-methyl-2-pyridin-1-iumyl)-4-nitrobenzene-1,2-diamine IUPAC Name: 2-N-(1-methylpyridin-1-ium-2-yl)-4-nitrobenzene-1,2-diamine Traditional Name: (2-amino-5-nitro-phenyl)-(1-methylpyridin-1-ium-2-yl)amine Formula: C12H13N4O2+ MolecularWeight: 245.25722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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