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

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

Systemtic Name:1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carboxylic acid bromide
Openeye Name:1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carboxylic acid bromide
CAS Name:1-[(4-nitrophenyl)methyl]-3-pyridin-1-iumcarboxylic acid bromide
IUPAC Name:1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carboxylic acid bromide
Traditional Name:1-(4-nitrobenzyl)pyridin-1-ium-3-carboxylic acid bromide
Formula: C13H11BrN2O4
MolecularWeight: 339.14144
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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.[Br-]


Isomeric SMILES

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


InChI

InChI=1S/C13H10N2O4.BrH/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;1H


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