Compound Identification
SMILES
CCOC(=O)C(=C\C1=CC=CC=C1[N+]([O-])=O)\C(=O)C1=CC=CC=C1
InChIKey
InChIKey=DWRIXGMCPXRTRU-NTCAYCPXSA-N
Formula
C18H15NO5
Mass
325.32
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
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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
Retrochalcones
Alternative Parents
Cinnamic acid esters Nitrobenzenes Aryl ketones Benzoyl derivatives Nitroaromatic compounds Beta-keto acids and derivatives Fatty acid esters Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Enones Enoate esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Cinnamic acid ester - Nitrobenzene - Benzoyl - Nitroaromatic compound - Aryl ketone - Beta-keto acid - Fatty acid ester - Alpha-branched alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Keto acid - Alpha,beta-unsaturated ketone - Acryloyl-group - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enone - Organic nitro compound - Carboxylic acid ester - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxide - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - 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