3-(4-nitrophenyl)-3-oxidanyl-2-pyridin-1-ium-1-yl-propanoic acid bromide

Systemtic Name: 3-(4-nitrophenyl)-3-oxidanyl-2-pyridin-1-ium-1-yl-propanoic acid bromide Openeye Name: 3-hydroxy-3-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-propanoic acid bromide CAS Name: 3-hydroxy-3-(4-nitrophenyl)-2-(1-pyridin-1-iumyl)propanoic acid bromide IUPAC Name: 3-hydroxy-3-(4-nitrophenyl)-2-pyridin-1-ium-1-ylpropanoic acid bromide Traditional Name: 3-hydroxy-3-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-propionic acid bromide Formula: C14H13BrN2O5 MolecularWeight: 369.16742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O5.BrH/c17-13(10-4-6-11(7-5-10)16(20)21)12(14(18)19)15-8-2-1-3-9-15;/h1-9,12-13,17H;1H