Compound Identification
SMILES
[O-][N+](=O)C1=CC(Br)=C(NC(=O)COC(=O)C2=C(NC3=CC=CC(=C3)C(F)(F)F)N=CC=C2)C=C1
InChIKey
InChIKey=SQTBYAQCDUMDPS-UHFFFAOYSA-N
Formula
C21H14BrF3N4O5
Mass
539.265
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
Pyridinecarboxylic acids Anilides Nitrobenzenes Aniline and substituted anilines Nitroaromatic compounds N-arylamides Aminopyridines and derivatives Bromobenzenes Aryl bromides Imidolactams Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Carboxylic acid esters Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Alkyl fluorides Organic zwitterions Organobromides Carbonyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Nitrobenzene - Pyridine carboxylic acid - Anilide - Pyridine carboxylic acid or derivatives - Nitroaromatic compound - Aniline or substituted anilines - N-arylamide - Aminopyridine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Secondary amine - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic nitrogen compound - Alkyl fluoride - Organic salt - Amine - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic oxide - 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