Compound Identification
SMILES
CCOC(=O)C(C#N)=C(CC)C1=CC(Cl)=CC(Cl)=C1O
InChIKey
InChIKey=GLJTUTUHJHDTOA-UHFFFAOYSA-N
Formula
C14H13Cl2NO3
Mass
314.16
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
Cinnamic acid esters Coumaric acids and derivatives Hydroxycinnamic acids Phenylpropanes P-chlorophenols Dichlorobenzenes O-chlorophenols Fatty acid esters Aryl chlorides Enoate esters Monocarboxylic acids and derivatives Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid ester - Coumaric acid or derivatives - Hydroxycinnamic acid - Cinnamic acid ester - Phenylpropane - 2-halophenol - 4-halophenol - 2-chlorophenol - 1,3-dichlorobenzene - 4-chlorophenol - Phenol - Chlorobenzene - Halobenzene - Fatty acid ester - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Benzenoid - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organohalogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - 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