Structure Information
Structure

Compound Identification

SMILES

CC(OC1=C(C=CC(OC2=C(Br)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O)C(=O)NCC1=CC=CO1

InChIKey

InChIKey=CMDQSUGZGQCVJO-UHFFFAOYSA-N

Formula

C21H16BrF3N2O6

Mass

529.266

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Diphenylethers

Intermediate Tree Nodes

Not available

Direct Parent

Bromodiphenyl ethers

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Bromodiphenyl ether - Diaryl ether - Nitrophenyl ether - Trifluoromethylbenzene - Nitrobenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Bromobenzene - Alkyl aryl ether - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Furan - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic salt - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organohalogen compound - Organic nitrogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as bromodiphenyl ethers. These are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo group.

External Descriptors

Not available

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