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

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

Systemtic Name:1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carboxylic acid
Openeye Name:1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carboxylic acid
CAS Name:1-[(4-nitrophenyl)methyl]-3-pyridin-1-iumcarboxylic acid
IUPAC Name:1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carboxylic acid
Traditional Name:1-(4-nitrobenzyl)pyridin-1-ium-3-carboxylic acid
Formula: C13H11N2O4+
MolecularWeight: 259.23744
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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/p+1


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