[1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl] ethanoate

Systemtic Name: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl] ethanoate Openeye Name: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl] acetate CAS Name: acetic acid [1-[(4-nitrophenyl)methyl]-3-pyridin-1-iumyl] ester IUPAC Name: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl] acetate Traditional Name: acetic acid [1-(4-nitrobenzyl)pyridin-1-ium-3-yl] ester Formula: C14H13N2O4+ MolecularWeight: 273.26402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C[N+](=CC=C1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C[N+](=CC=C1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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