Compound Identification
SMILES
CSC1=CC=C(\C=C\C(=O)C2=CC(=CC=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=SZXXHUPKVVISFF-JXMROGBWSA-N
Formula
C16H13NO3S
Mass
299.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
-
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 Thiophenol ethers Styrenes Aryl ketones Benzoyl derivatives Nitroaromatic compounds Alkylarylthioethers Acryloyl compounds Enones Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl ketone - Styrene - Thiophenol ether - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Organic nitro compound - Ketone - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Organic 1,3-dipolar compound - Organic oxoazanium - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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