Compound Identification
SMILES
ClC1=CC=C(C=C1)N=NC(C(=O)C1=CC=C(Br)C=C1)C(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=MZNNSTSTFMAPGT-UHFFFAOYSA-N
Formula
C21H13Br2ClN2O2
Mass
520.61
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retro-dihydrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retro-dihydrochalcones
Alternative Parents
Alkyl-phenylketones Butyrophenones Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Bromobenzenes Beta-diketones Aryl chlorides Aryl bromides Azo compounds Propargyl-type 1,3-dipolar organic compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Bromobenzene - Chlorobenzene - Halobenzene - 1,3-diketone - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Aryl chloride - 1,3-dicarbonyl compound - Benzenoid - Ketone - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available