| SpectraBase Spectrum ID |
79HMZFE2E2I |
| Name |
Ethyl 1-(1-(7-chloroquinolin-4-yl)-5-(dichloromethyl)-4-nitro-1H-pyrazol-3-yl)piperidine-4-carboxylate |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20Cl3N5O4 |
| InChI |
InChI=1S/C21H20Cl3N5O4/c1-2-33-21(30)12-6-9-27(10-7-12)20-18(29(31)32)17(19(23)24)28(26-20)16-5-8-25-15-11-13(22)3-4-14(15)16/h3-5,8,11-12,19H,2,6-7,9-10H2,1H3 |
| InChIKey |
ODCQTCOZOGCPSC-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
512.781 g/mol |
| Quality |
39 |
| Reported Formula |
C21H20Cl3N5O4 |
| SMILES |
C12=C(C=CN=C2C=C(C=C1)Cl)N1N=C(C(=C1C(Cl)Cl)[N+]([O-])=O)N1CCC(CC1)C(OCC)=O |
| SPLASH |
splash10-02ta-0405910000-593532b0f24e2744be29 |
| Source of Spectrum |
BJO-18-SM11-5e (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901302 |
