| SpectraBase Spectrum ID |
gMrN02QKJF |
| Name |
3-(4'-Benzoylamino-4'-methoxycarbonyl-1-chloro-1',3'-butadien-1'-ynyl) coumarin |
| Alternate Name(s) |
(2E,4Z)-methyl 2-benzamido-5-chloro-5-(2-oxo-2H-chromen-3-yl)penta-2,4-dienoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H16ClNO5 |
| InChI |
InChI=1S/C22H16ClNO5/c1-28-22(27)18(24-20(25)14-7-3-2-4-8-14)12-11-17(23)16-13-15-9-5-6-10-19(15)29-21(16)26/h2-13H,1H3,(H,24,25)/b17-11-,18-12+ |
| InChIKey |
VFRCIZVWFALNQV-MJZABRMRSA-N |
| Literature Reference DOI |
10.1002/cjoc.19980160608 |
| Molecular Weight |
409.825 g/mol |
| SMILES |
N(\C(=C\C=C\(C1=Cc2ccccc2OC1=O)Cl)C(=O)OC)C(c1ccccc1)=O |
| SPLASH |
splash10-0a4i-4912100000-3967963208c2a1380fd3 |
| Source of Spectrum |
CJC-16-537-8 |
| Wiley ID |
1773381 |
