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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Diphenylethers
- Level 5 Bromodiphenyl ethers
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Subclass
Diphenylethers
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylethers
Intermediate Tree Nodes
Not available
Direct Parent
Bromodiphenyl ethers
Alternative Parents
Diarylethers Nitrophenyl ethers Trifluoromethylbenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Bromobenzenes Aryl bromides Furans Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organobromides Organofluorides Carbonyl compounds Organonitrogen compounds Organic salts Alkyl fluorides Organic oxides
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