1-[4-[[3-(1-methylpyridin-1-ium-3-yl)phenyl]amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[3-(1-methylpyridin-1-ium-3-yl)phenyl]amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[3-(1-methylpyridin-1-ium-3-yl)anilino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[3-(1-methyl-3-pyridin-1-iumyl)anilino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[3-(1-methylpyridin-1-ium-3-yl)anilino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[3-(1-methylpyridin-1-ium-3-yl)anilino]-3-nitro-phenyl]ethanone Formula: C20H18N3O3+ MolecularWeight: 348.37522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)C3=C[N+](=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)C3=C[N+](=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O3/c1-14(24)15-8-9-19(20(12-15)23(25)26)21-18-7-3-5-16(11-18)17-6-4-10-22(2)13-17/h3-13H,1-2H3/p+1