Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Trifluoromethylbenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Trifluoromethylbenzenes

Alternative Parents

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

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