Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C(=O)C(N=NC1=CC=C(Br)C=C1)C(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=FWQYDXBXUQYQFC-UHFFFAOYSA-N
Formula
C21H13BrN4O6
Mass
497.261
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
-
Subclass
Chalcones and dihydrochalcones
- Level 5 Retro-dihydrochalcones
-
Subclass
Chalcones and dihydrochalcones
-
Class
Linear 1,3-diarylpropanoids
-
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 Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Beta-diketones Bromobenzenes Aryl bromides Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organobromides Organic salts Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Nitrobenzene - Phenylketone - Nitroaromatic compound - Aryl ketone - Benzoyl - Aryl alkyl ketone - Halobenzene - Bromobenzene - 1,3-diketone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Azo compound - Organic nitro compound - Ketone - C-nitro compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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