Compound Identification
SMILES
COC1=C(OC(=O)C2=CC=CC=C2Cl)C=CC(C=C(C#N)C(=O)NCC=C)=C1
InChIKey
InChIKey=OQEFWVDFFRJIAI-UHFFFAOYSA-N
Formula
C21H17ClN2O4
Mass
396.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Depsides and depsidones
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Depsides and depsidones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Depsides and depsidones
Alternative Parents
Cinnamic acid amides 2-halobenzoic acids and derivatives Benzoic acid esters Phenol esters Methoxybenzenes Benzoyl derivatives Anisoles Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Vinylogous halides Carboxylic acid esters Secondary carboxylic acid amides Nitriles Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Depside backbone - Cinnamic acid amide - Cinnamic acid or derivatives - Benzoate ester - Phenol ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Benzoyl - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous halide - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Nitrile - Carbonitrile - Ether - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Cyanide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
External Descriptors
Not available