Compound Identification
SMILES
CC(=O)C(=O)C=C(O)C1=CC(OCC2=CC(Cl)=CC(Cl)=C2C#N)=CC=C1
InChIKey
InChIKey=MQLALHBOEMZHGV-UHFFFAOYSA-N
Formula
C19H13Cl2NO4
Mass
390.22
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
Benzonitriles Dichlorobenzenes Phenol ethers Phenoxy compounds Styrenes Alkyl aryl ethers Alpha-diketones Aryl chlorides Enones Acryloyl compounds Vinylogous acids Nitriles Enols Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - 1,3-dichlorobenzene - Benzonitrile - Phenol ether - Styrene - Phenoxy compound - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Alpha-diketone - Vinylogous acid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Nitrile - Enol - Carbonitrile - Ether - Organohalogen compound - Organochloride - Carbonyl group - 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 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