Compound Identification
SMILES
COC(=O)C1=C(C)N(C2CC2)C(C)=C(C1C1=CC(=C(Cl)C=C1)C(F)(F)F)C(=O)OC
InChIKey
InChIKey=MGHCGDHZIQTWQK-UHFFFAOYSA-N
Formula
C21H21ClF3NO4
Mass
443.85
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
Dihydropyridinecarboxylic acids and derivatives Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Enoate esters Trialkylamines Amino acids and derivatives Azacyclic compounds Enamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Dihydropyridinecarboxylic acid derivative - Halobenzene - Chlorobenzene - Dihydropyridine - Hydropyridine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Enamine - Organonitrogen compound - Organooxygen compound - Amine - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteromonocyclic 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