Compound Identification
SMILES
CC1=C(C=C(C=C1)C(=O)C=CC1=C(Cl)C=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=ZFWQPZCUPHVATC-UHFFFAOYSA-N
Formula
C16H11Cl2NO3
Mass
336.17
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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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
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Nitrobenzenes Nitrotoluenes Nitroaromatic compounds Dichlorobenzenes Styrenes Benzoyl derivatives Aryl ketones Aryl chlorides Acryloyl compounds Enones Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Benzoyl - 1,3-dichlorobenzene - Aryl ketone - Styrene - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Organic nitro compound - C-nitro compound - Ketone - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Organic salt - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available