| SpectraBase Spectrum ID |
9rRpxqtS4aH |
| Name |
1H-Pyrrole-3-propanoic acid, 5-[[2,5-dihydro-3-methyl-4-[2-(nitrooxy)ethyl]-5-oxo-1H-pyrrol-2-yl]m ethyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester, (.+-.)- |
| CAS Registry Number |
66385-47-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H31N3O8 |
| InChI |
InChI=1S/C22H31N3O8/c1-12-14(7-8-18(26)31-6)19(21(28)33-22(3,4)5)23-16(12)11-17-13(2)15(20(27)24-17)9-10-32-25(29)30/h17,23H,7-11H2,1-6H3,(H,24,27) |
| InChIKey |
BPAOHKLQQVXSFH-UHFFFAOYSA-N |
| Molecular Weight |
465.503 g/mol |
| SMILES |
[nH]1c(c(c(c1CC1C(=C(C(N1)=O)CCON(=O)=O)C)C)CCC(=O)OC)C(OC(C)(C)C)=O |
| SPLASH |
splash10-00e9-0191000000-c3d6935452286fa6ad6c |
| Source of Spectrum |
K-111-499-0 |
| Synonyms |
Methyl ester of 5'-tert-butoxycarbonyl-2,5-dihydro-3,3'-dimethyl-4-(2-nitrooxyethyl)-5-oxo-2,2'-dipyrrylmethan-4'-propionic acid
tert-Butyl 3-(3-methoxy-3-oxopropyl)-4-methyl-5-({3-methyl-4-[2-(nitrooxy)ethyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}methyl)-1H-pyrrole-2-carboxylate |
| Wiley ID |
1391700 |
![1H-Pyrrole-3-propanoic acid, 5-[[2,5-dihydro-3-methyl-4-[2-(nitrooxy)ethyl]-5-oxo-1H-pyrrol-2-yl]m ethyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester, (.+-.)-](/api/spectrum/9rRpxqtS4aH/structure.png?h=300&w=458 "1H-Pyrrole-3-propanoic acid, 5-[[2,5-dihydro-3-methyl-4-[2-(nitrooxy)ethyl]-5-oxo-1H-pyrrol-2-yl]m ethyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester, (.+-.)-")
