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

Systemtic Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carboxylate Openeye Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[(4-nitrophenyl)methyl]-3-pyridin-1-iumcarboxylate IUPAC Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-(4-nitrobenzyl)pyridin-1-ium-3-carboxylate Formula: C13H10N2O4 MolecularWeight: 258.2295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O4/c16-13(17)11-2-1-7-14(9-11)8-10-3-5-12(6-4-10)15(18)19/h1-7,9H,8H2