| SpectraBase Spectrum ID |
Di7clCop7fS |
| Name |
(Z)-Dimethyl 2-{4-[5-nitro-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.143035402 u |
| Formula |
C22H21N3O6 |
| InChI |
InChI=1S/C22H21N3O6/c1-30-21(26)18(22(27)31-2)8-4-3-7-16-13-15-14-17(25(28)29)10-11-19(15)24(16)20-9-5-6-12-23-20/h3-6,9-14,18H,7-8H2,1-2H3/b4-3- |
| InChIKey |
KLKXKWLRYYKOPU-ARJAWSKDSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201601778 |
| Molecular Weight |
423.425 g/mol |
| Reported Formula |
C22H21N3O6 |
| SMILES |
C=1(C=CC=2N(C=3C=CC=CN3)C(C\C=C/CC(C(=O)OC)C(OC)=O)=CC2C1)[N+]([O-])=O |
| SPLASH |
splash10-01ox-0090000000-d9db58c30517d10bf175 |
| Source of Spectrum |
ACI-55-SM10-(Z)-3fa (DOI: 10.1002/anie.201601778) |
| Wiley ID |
1900944 |
![(Z)-Dimethyl 2-{4-[5-nitro-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate](/api/spectrum/Di7clCop7fS/structure.png?h=300&w=458 "(Z)-Dimethyl 2-{4-[5-nitro-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate")
