| SpectraBase Spectrum ID |
76a69bQ2GAe |
| Name |
4-Methoxy-2-(4'-methylbenzenesulfonyl)-5-exo-nitro-3-oxo-2-azabicyclo[2.2.2]oct-7-ene |
| CAS Registry Number |
141725-48-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H16N2O6S |
| InChI |
InChI=1S/C15H16N2O6S/c1-10-3-5-12(6-4-10)24(21,22)16-11-7-8-15(23-2,14(16)18)13(9-11)17(19)20/h3-8,11,13H,9H2,1-2H3 |
| InChIKey |
UQILCDAWOAXVLG-UHFFFAOYSA-N |
| Molecular Weight |
352.361 g/mol |
| SMILES |
c1(S(N2C(C3(OC)C=CC2CC3N(=O)=O)=O)(=O)=O)ccc(cc1)C |
| SPLASH |
splash10-0a4i-1900000000-86033997eff326c721d1 |
| Source of Spectrum |
J-57-4094-2 |
| Synonyms |
4-Methoxy-2-(4'-Methylbenzenesulfonyl)-5-endo-nitro-3-oxo-2-azabicyclo[2.2.2]oct-7-ene
4-Methoxy-2-[(4-methylphenyl)sulfonyl]-8-nitro-2-azabicyclo[2.2.2]oct-5-en-3-one |
| Wiley ID |
1342968 |
![4-Methoxy-2-(4'-methylbenzenesulfonyl)-5-exo-nitro-3-oxo-2-azabicyclo[2.2.2]oct-7-ene](/api/spectrum/76a69bQ2GAe/structure.png?h=300&w=458 "4-Methoxy-2-(4'-methylbenzenesulfonyl)-5-exo-nitro-3-oxo-2-azabicyclo[2.2.2]oct-7-ene")
