Compound Identification
SMILES
CN1C(=O)[C@@](O)(CC(=O)\C=C\C2=CC3=C(OCO3)C=C2)C2=C1C=CC(Cl)=C2
InChIKey
InChIKey=KVMPDDASJGRMDH-XQASTXFUSA-N
Formula
C20H16ClNO5
Mass
385.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Benzodioxoles Indoles and derivatives Styrenes b'-hydroxy-alpha,beta-unsaturated ketones Aryl chlorides Beta-hydroxy ketones Tertiary carboxylic acid amides Tertiary alcohols Acryloyl compounds Enones Lactams Azacyclic compounds Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Benzodioxole - Indole or derivatives - Styrene - B'-hydroxy-alpha,beta-unsaturated-ketone - Aryl chloride - Aryl halide - Beta-hydroxy ketone - Benzenoid - Acryloyl-group - Enone - Tertiary alcohol - Tertiary carboxylic acid amide - Alpha,beta-unsaturated ketone - Carboxamide group - Ketone - Lactam - Azacycle - Carboxylic acid derivative - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Alcohol - Organooxygen compound - Aldehyde - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available