| SpectraBase Spectrum ID |
9lHUuHl1XaZ |
| Name |
1H-Pyrrole-2,3,4-tricarboxylic acid, 5-(4-cyanophenyl)-, 2-ethyl 3,4-dimethyl ester |
| CAS Registry Number |
131786-25-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H16N2O6 |
| InChI |
InChI=1S/C18H16N2O6/c1-4-26-18(23)15-13(17(22)25-3)12(16(21)24-2)14(20-15)11-7-5-10(9-19)6-8-11/h5-8,20H,4H2,1-3H3 |
| InChIKey |
XNVAUBBWRYWBCM-UHFFFAOYSA-N |
| Molecular Weight |
356.334 g/mol |
| SMILES |
[nH]1c(c(c(c1C(=O)OCC)C(=O)OC)C(=O)OC)-c1ccc(C#N)cc1 |
| SPLASH |
splash10-0adl-0239000000-a68c2861739b729cec74 |
| Source of Spectrum |
F-46-6480-9 |
| Synonyms |
2-Ethyl 3,4-dimethyl 5-(4-cyanophenyl)-1H-pyrrole-2,3,4-tricarboxylate
Ethyl 2-(4'-cyanophenyl)-3,4-dimethoxycarbonylpyrrole-5-carboxylate |
| Wiley ID |
1345654 |
