Compound Identification
SMILES
CCOC(=O)C1CCN(CC1)C1=C(C(OCCC2=CC(=CC=C2)C(F)(F)F)=NC=N1)[N+]([O-])=O
InChIKey
InChIKey=WWYRLNDAGZOOTN-UHFFFAOYSA-N
Formula
C21H23F3N4O5
Mass
468.433
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
Piperidinecarboxylic acids Nitroaromatic compounds Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Monocarboxylic acids and derivatives Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Piperidinecarboxylic acid - Nitroaromatic compound - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Piperidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organofluoride - Organohalogen compound - Organic salt - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Alkyl halide - Organic cation - 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