Compound Identification
SMILES
OC(=O)C(=O)\C=C(/O)C1=CC(OCC2=CC(Cl)=C(Cl)C=C2C#N)=CC=C1
InChIKey
InChIKey=LXOUTLOJCVSJHE-APSNUPSMSA-N
Formula
C18H11Cl2NO5
Mass
392.19
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
Styrenes Phenoxy compounds Phenol ethers Benzonitriles Dichlorobenzenes Alkyl aryl ethers Alpha-keto acids and derivatives Aryl chlorides Acryloyl compounds Vinylogous acids Alpha-hydroxy ketones Enones Carboxylic acids Nitriles Monocarboxylic acids and derivatives Enols Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - Benzonitrile - 1,2-dichlorobenzene - Phenol ether - Styrene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Alpha-keto acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Keto acid - Benzenoid - Alpha,beta-unsaturated ketone - Acryloyl-group - Alpha-hydroxy ketone - Enone - Vinylogous acid - Ketone - Nitrile - Ether - Carbonitrile - Enol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organochloride - Cyanide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - 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