Compound Identification
SMILES
COC(=O)C(=CC1=CC(C)=CC(COC2=C(Cl)C=C(F)C=C2)=C1C)C#N
InChIKey
InChIKey=WQMJUBZMSLRJAD-UHFFFAOYSA-N
Formula
C20H17ClFNO3
Mass
373.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid esters
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid esters
Alternative Parents
p-Xylenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Fatty acid esters Fluorobenzenes Aryl chlorides Aryl fluorides Enoate esters Methyl esters Monocarboxylic acids and derivatives Nitriles Organofluorides Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid ester - Phenoxy compound - P-xylene - Xylene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Cyanide - Organofluoride - Organic oxygen compound - Organohalogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
External Descriptors
Not available