Compound Identification
SMILES
COCCN(CCOC)C1=NC(C)=NC(NC2=C(C=C(C=C2)N(C)C)C(F)(F)F)=C1[N+]([O-])=O
InChIKey
InChIKey=ZFHRUKRDCPGMBK-UHFFFAOYSA-N
Formula
C20H27F3N6O4
Mass
472.469
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
Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic zwitterions Organofluorides Organic salts Hydrocarbon derivatives Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aminopyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - C-nitro compound - Tertiary amine - Organic nitro compound - Dialkyl ether - Ether - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Amine - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Alkyl fluoride - Alkyl halide - Organic salt - Organic oxygen 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