| SpectraBase Spectrum ID |
FtsCFDf5l4y |
| Name |
Dimethyl (2Z)-2-Chloro-3-{1-[dichloro(cyano)methyl]isoquinolin-2(1H)-yl}but-2-enedioate |
| Alternate Name(s) |
Dimethyl 2-chloro-3-(8-(dichloro(cyano)methyl)isoquinolin-2(1H)-yl)maleate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H13Cl3N2O4 |
| InChI |
InChI=1S/C17H13Cl3N2O4/c1-25-15(23)13(18)14(16(24)26-2)22-7-6-10-4-3-5-12(11(10)8-22)17(19,20)9-21/h3-7H,8H2,1-2H3/b14-13- |
| InChIKey |
XGNILGAHPDARAU-YPKPFQOOSA-N |
| Literature Reference DOI |
10.1002/hlca.201000279 |
| Molecular Weight |
415.660 g/mol |
| SMILES |
C1c2c(cccc2C=CN1\C(C(OC)=O)=C/(C(OC)=O)Cl)C(C#N)(Cl)Cl |
| SPLASH |
splash10-0a4i-2409000000-84a8bd674eac5186f6b5 |
| Source of Spectrum |
H-94-813-4a |
| Wiley ID |
1785984 |
![Dimethyl (2Z)-2-Chloro-3-{1-[dichloro(cyano)methyl]isoquinolin-2(1H)-yl}but-2-enedioate](/api/spectrum/FtsCFDf5l4y/structure.png?h=300&w=458 "Dimethyl (2Z)-2-Chloro-3-{1-[dichloro(cyano)methyl]isoquinolin-2(1H)-yl}but-2-enedioate")
