SpectraBase Spectrum ID |
9CrCdPSQXT9 |
Name |
Ethyl N-[2-(benzylamino)phenyl]-5-cyano-4-(trifluoromethyl)pyrrol-3-carboxylate |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C22H18F3N3O2 |
InChI |
InChI=1S/C22H18F3N3O2/c1-2-30-21(29)16-14-28(19(12-26)20(16)22(23,24)25)18-11-7-6-10-17(18)27-13-15-8-4-3-5-9-15/h3-11,14,27H,2,13H2,1H3 |
InChIKey |
UKBWAGNIXAONFA-UHFFFAOYSA-N |
Molecular Weight |
413.400 g/mol |
SMILES |
N(c1c(-[n]2c(c(c(c2)C(=O)OCC)C(F)(F)F)C#N)cccc1)Cc1ccccc1 |
SPLASH |
splash10-01ox-7003900000-30328be9fa05cbf85e72 |
Source of Spectrum |
F-54-12473-4 |
Synonyms |
Ethyl 1-[2-(benzylamino)phenyl]-5-cyano-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate |
Wiley ID |
809156 |