methyl 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxylate Openeye Name: methyl 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[(4-nitrophenyl)methyl]-4-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-(4-nitrobenzyl)pyridin-1-ium-4-carboxylic acid methyl ester Formula: C14H13N2O4+ MolecularWeight: 273.26402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N2O4/c1-20-14(17)12-6-8-15(9-7-12)10-11-2-4-13(5-3-11)16(18)19/h2-9H,10H2,1H3/q+1