| SpectraBase Spectrum ID |
RQBIABhAW |
| Name |
N-[1-(7-chloroquinolin-4-yl)-5-(dichloromethyl)-4-nitro-1H-pyrazol-3-yl]-5-methyl-1,2-oxazol-3-amine |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.995821335 u |
| Formula |
C17H11Cl3N6O3 |
| InChI |
InChI=1S/C17H11Cl3N6O3/c1-8-6-13(24-29-8)22-17-15(26(27)28)14(16(19)20)25(23-17)12-4-5-21-11-7-9(18)2-3-10(11)12/h2-7,16H,1H3,(H,22,23,24) |
| InChIKey |
AYSMVIGCQXDIKG-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
453.673 g/mol |
| Quality |
51 |
| Reported Formula |
C17H11Cl3N6O3 |
| SMILES |
N(C1=NN(C2=C3C(=NC=C2)C=C(C=C3)Cl)C(=C1[N+]([O-])=O)C(Cl)Cl)C1=NOC(=C1)C |
| SPLASH |
splash10-0udi-0202900000-3ea1c55c8a7432c8e0e9 |
| Source of Spectrum |
BJO-18-SM18-5o (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901312 |
![N-[1-(7-chloroquinolin-4-yl)-5-(dichloromethyl)-4-nitro-1H-pyrazol-3-yl]-5-methyl-1,2-oxazol-3-amine](/api/spectrum/RQBIABhAW/structure.png?h=300&w=458 "N-[1-(7-chloroquinolin-4-yl)-5-(dichloromethyl)-4-nitro-1H-pyrazol-3-yl]-5-methyl-1,2-oxazol-3-amine")
