| SpectraBase Spectrum ID |
GTAHJRKId9z |
| Name |
1-(7-chloroquinolin-4-yl)-5-(dichloromethyl)-N-(4-ethoxyphenyl)-4-nitro-1H-pyrazol-3-amine |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
491.031872492 u |
| Formula |
C21H16Cl3N5O3 |
| InChI |
InChI=1S/C21H16Cl3N5O3/c1-2-32-14-6-4-13(5-7-14)26-21-19(29(30)31)18(20(23)24)28(27-21)17-9-10-25-16-11-12(22)3-8-15(16)17/h3-11,20H,2H2,1H3,(H,26,27) |
| InChIKey |
FWXCBGLUTPYVBR-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
492.750 g/mol |
| Quality |
42 |
| Reported Formula |
C21H16Cl3N5O3 |
| SMILES |
N(C1=NN(C2=C3C(=NC=C2)C=C(C=C3)Cl)C(=C1[N+]([O-])=O)C(Cl)Cl)C1=CC=C(C=C1)OCC |
| SPLASH |
splash10-0006-0100900000-3a13499308d4447d915d |
| Source of Spectrum |
BJO-18-SM17-5n (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901311 |
