| SpectraBase Spectrum ID |
FzgqumrRoTH |
| Name |
4-(Benzyloxy)-2-(4'-methylbenzenesulfonyl)-5-exo-nitro-3-oxo-2-azabicyclo[2.2.2]oct-7-ene |
| CAS Registry Number |
141725-49-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20N2O6S |
| InChI |
InChI=1S/C21H20N2O6S/c1-15-7-9-18(10-8-15)30(27,28)22-17-11-12-21(20(22)24,19(13-17)23(25)26)29-14-16-5-3-2-4-6-16/h2-12,17,19H,13-14H2,1H3 |
| InChIKey |
KNZIBJFRZSPVNA-UHFFFAOYSA-N |
| Molecular Weight |
428.459 g/mol |
| SMILES |
C1(N(C2C=CC1(OCc1ccccc1)C(C2)N(=O)=O)S(c1ccc(cc1)C)(=O)=O)=O |
| SPLASH |
splash10-0006-9100000000-05321488d073bd7575d4 |
| Source of Spectrum |
J-57-4095-2 |
| Synonyms |
4-(Benzyloxy)-2-(4'-Methylbenzenesulfonyl)-5-endo-nitro-3-oxo-2-azabicyclo[2.2.2]-7-octene
4-(benzyloxy)-2-[(4-methylphenyl)sulfonyl]-8-nitro-2-azabicyclo[2.2.2]oct-5-en-3-one |
| Wiley ID |
1380601 |
![4-(Benzyloxy)-2-(4'-methylbenzenesulfonyl)-5-exo-nitro-3-oxo-2-azabicyclo[2.2.2]oct-7-ene](/api/spectrum/FzgqumrRoTH/structure.png?h=300&w=458 "4-(Benzyloxy)-2-(4'-methylbenzenesulfonyl)-5-exo-nitro-3-oxo-2-azabicyclo[2.2.2]oct-7-ene")
