Compound Identification
SMILES
OCCN1C(C(C(=O)C=CC2=CC=CC=C2)=C(O)C1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=MRAOFNOQOOGCDT-UHFFFAOYSA-N
Formula
C21H18ClNO4
Mass
383.83
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
Phenylpyrrolines Styrenes Chlorobenzenes Aryl chlorides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Acryloyl compounds Enones Lactams Ketones Enols Azacyclic compounds Alkanolamines Primary alcohols Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - 2-phenylpyrroline - Styrene - Halobenzene - Chlorobenzene - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Vinylogous acid - Alpha,beta-unsaturated ketone - Tertiary carboxylic acid amide - Pyrroline - Pyrrole - Acryloyl-group - Enone - Ketone - Lactam - Carboxamide group - Alkanolamine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Enol - Primary alcohol - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic 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