Compound Identification
SMILES
CC1=CC(OCC(=O)NCC2=CC3=C(OCO3)C=C2)=NC(=N1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=GOPFOAWJZBGUKW-UHFFFAOYSA-N
Formula
C22H18F3N3O4
Mass
445.398
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Benzodioxoles Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Benzodioxole - Alkyl aryl ether - Pyrimidine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available