Compound Identification
SMILES
NN(C(=O)CC1=C(F)C(OC2=CC(Cl)=CC(Br)=C2)=C(Cl)C=C1)C(=O)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=UHZFILOFXKTLFN-UHFFFAOYSA-N
Formula
C22H13BrCl2FN3O3
Mass
537.17
Taxonomic Classification
Taxonomy Tree
-
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 Phenylacetamides Benzoic acids and derivatives Phenoxy compounds Phenol ethers Benzonitriles Benzoyl derivatives Fluorobenzenes Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Aryl fluorides Dicarboximides Carboxylic acid hydrazides Nitriles Carbonyl compounds Organofluorides Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Bromodiphenyl ether - Diaryl ether - Phenylacetamide - Benzoic acid or derivatives - Phenoxy compound - Benzonitrile - Benzoyl - Phenol ether - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl halide - Aryl bromide - Aryl fluoride - Aryl chloride - Dicarboximide - Carboxylic acid hydrazide - Carboxylic acid derivative - Nitrile - Carbonitrile - Ether - Organohalogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organofluoride - Organochloride - Aromatic homomonocyclic 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