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

Systemtic Name: (3-nitrophenyl) 1-methylpyridin-1-ium-4-carboxylate Openeye Name: (3-nitrophenyl) 1-methylpyridin-1-ium-4-carboxylate CAS Name: 1-methyl-4-pyridin-1-iumcarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 1-methylpyridin-1-ium-4-carboxylate Traditional Name: 1-methylpyridin-1-ium-4-carboxylic acid (3-nitrophenyl) ester Formula: C13H11N2O4+ MolecularWeight: 259.23744

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

InChI

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