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

Systemtic Name: ethyl 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[(4-nitrophenyl)methyl]-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-(4-nitrobenzyl)pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C15H15N2O4+ MolecularWeight: 287.2906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N2O4/c1-2-21-15(18)13-7-9-16(10-8-13)11-12-3-5-14(6-4-12)17(19)20/h3-10H,2,11H2,1H3/q+1