Compound Identification
SMILES
[O-][N+](=O)C1=C(Br)C=CC(C=NNC2=NC(=NC(NC3=CC=CC(=C3)C(F)(F)F)=N2)N2CCOCC2)=C1
InChIKey
InChIKey=HMUVYTAUMXQWKP-UHFFFAOYSA-N
Formula
C21H18BrF3N8O3
Mass
567.327
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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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
Nitrobenzenes 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Bromobenzenes 1,3,5-triazines Aryl bromides Morpholines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Hydrazones Organic zwitterions Organofluorides Organic salts Organobromides Alkyl fluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Nitrobenzene - 2,4-diamine-s-triazine - Nitroaromatic compound - Dialkylarylamine - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Morpholine - Oxazinane - Triazine - 1,3,5-triazine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrazone - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Amine - Organobromide - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organic oxide - Alkyl halide - Alkyl fluoride - Organic salt - Organooxygen compound - Organic nitrogen compound - 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