Compound Identification
SMILES
CC1=CC(=CC(C)=C1OC1=C(C(N)=C(C#N)C(Cl)=C1Br)C1=NC=CC=N1)C#N
InChIKey
InChIKey=SKGUIOUQUAJRLN-UHFFFAOYSA-N
Formula
C20H13BrClN5O
Mass
454.71
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 m-Xylenes 1-bromo,2-chlorobenzenes Phenoxy compounds Phenol ethers Aniline and substituted anilines Benzonitriles Chlorobenzenes Bromobenzenes Pyrimidines and pyrimidine derivatives Aryl bromides Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organobromides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromodiphenyl ether - Diaryl ether - Benzonitrile - Phenoxy compound - M-xylene - Xylene - Phenol ether - 1-bromo,2-chlorobenzene - 1,2-dihalobenzene - Aniline or substituted anilines - Bromobenzene - Chlorobenzene - Halobenzene - Pyrimidine - Aryl chloride - Aryl halide - Aryl bromide - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Ether - Nitrile - Carbonitrile - Primary amine - Organohalogen compound - Organobromide - Cyanide - Organic oxygen compound - Amine - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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