CHEBI:112234 - N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]-2-propenamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]-2-propenamide
ChEBI ID CHEBI:112234
Stars This entity has been manually annotated by a third party.
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Formula C27H18ClF6N3O4
Net Charge 0
Average Mass 597.894
Monoisotopic Mass 597.08900
InChI InChI=1S/C27H18ClF6N3O4/c1-40-23-10-15(9-16(13-35)25(39)37-21-12-18(27(32,33)34)6-7-20(21)28)5-8-22(23)41-14-24(38)36-19-4-2-3-17(11-19)26(29,30)31/h2-12H,14H2,1H3,(H,36,38)(H,37,39)
InChIKey RZNOUJVZRGPNED-UHFFFAOYSA-N
SMILES COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F
ChEBI Ontology
Outgoing N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]-2-propenamide (CHEBI:112234) is a cinnamamides (CHEBI:23247)
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]-2-propenamide (CHEBI:112234) is a secondary carboxamide (CHEBI:140325)
Manual Xref Database
LSM-23646 LINCS
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Last Modified
07 March 2018