Compound Identification
SMILES
CNC1=C(C(C2=CC(Cl)=C(C=C2)C(F)(F)F)C(C(=O)OC)=C(C)N1)[N+]([O-])=O
InChIKey
InChIKey=OOVZXPRXELZWDX-UHFFFAOYSA-N
Formula
C16H15ClF3N3O4
Mass
405.76
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 Vinylogous amides Methyl esters Enoate esters C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organochlorides Organofluorides Amines Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Dihydropyridinecarboxylic acid derivative - Chlorobenzene - Dihydropyridine - Halobenzene - Aryl chloride - Aryl halide - Hydropyridine - Vinylogous amide - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Amine - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Carbonyl group - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - 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