Compound Identification
SMILES
CCOC(=O)C(=CC1=CC(Cl)=CC(Cl)=C1O)C#N
InChIKey
InChIKey=SYJXHPDZELOUCO-UHFFFAOYSA-N
Formula
C12H9Cl2NO3
Mass
286.11
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
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Level 5
Hydroxycinnamic acid esters
- Level 6 Coumaric acid esters
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Level 5
Hydroxycinnamic acid esters
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Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Hydroxycinnamic acid esters
Direct Parent
Coumaric acid esters
Alternative Parents
Hydroxycinnamic acids Coumaric acids and derivatives Cinnamic acid esters P-chlorophenols O-chlorophenols Dichlorobenzenes Fatty acid esters Aryl chlorides Enoate esters Nitriles Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid ester - Hydroxycinnamic acid - Cinnamic acid ester - Coumaric acid or derivatives - 2-chlorophenol - 2-halophenol - 4-halophenol - 4-chlorophenol - 1,3-dichlorobenzene - Phenol - Fatty acid ester - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Nitrile - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid.
External Descriptors
Not available