(4-nitrophenyl) 1-methylpyridin-1-ium-2-carboxylate

Systemtic Name: (4-nitrophenyl) 1-methylpyridin-1-ium-2-carboxylate Openeye Name: (4-nitrophenyl) 1-methylpyridin-1-ium-2-carboxylate CAS Name: 1-methyl-2-pyridin-1-iumcarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 1-methylpyridin-1-ium-2-carboxylate Traditional Name: 1-methylpyridin-1-ium-2-carboxylic acid (4-nitrophenyl) ester Formula: C13H11N2O4+ MolecularWeight: 259.23744

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N2O4/c1-14-9-3-2-4-12(14)13(16)19-11-7-5-10(6-8-11)15(17)18/h2-9H,1H3/q+1