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

Systemtic Name: N-[(E)-(1-methylpyridin-1-ium-3-yl)methylideneamino]-4-nitro-aniline Openeye Name: N-[(E)-(1-methylpyridin-1-ium-3-yl)methyleneamino]-4-nitro-aniline CAS Name: N-[(E)-(1-methyl-3-pyridin-1-iumyl)methylideneamino]-4-nitroaniline IUPAC Name: N-[(E)-(1-methylpyridin-1-ium-3-yl)methylideneamino]-4-nitroaniline Traditional Name: [(E)-(1-methylpyridin-1-ium-3-yl)methyleneamino]-(4-nitrophenyl)amine Formula: C13H13N4O2+ MolecularWeight: 257.26792

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C13H13N4O2/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/q+1/b14-9+