Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(NC(=O)C(=CC2=CC=C(O2)C2=C(Cl)C=CC(=C2)C(F)(F)F)C#N)C=C1
InChIKey
InChIKey=FBXQPZCKDZMLML-UHFFFAOYSA-N
Formula
C21H11ClF3N3O4
Mass
461.78
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
Anilides Nitrobenzenes N-arylamides Nitroaromatic compounds Chlorobenzenes Aryl chlorides Furans Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Nitriles Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organochlorides Organofluorides Organopnictogen compounds Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Furan - Heteroaromatic compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Oxacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxoazanium - Organic nitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Organofluoride - Organonitrogen compound - Organic oxide - Cyanide - Organopnictogen compound - Organooxygen compound - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organic salt - Organic zwitterion - 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