Compound Identification
SMILES
OC(COC1=CC=C(\C=C\C=O)C=C1)(CN1C=CN=C1)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=UQKRKSDANXWUHL-OWOJBTEDSA-N
Formula
C21H18Cl2N2O3
Mass
417.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Cinnamaldehydes
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamaldehydes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamaldehydes
Alternative Parents
Styrenes Phenoxy compounds Phenol ethers Dichlorobenzenes Alkyl aryl ethers Aryl chlorides N-substituted imidazoles Tertiary alcohols Heteroaromatic compounds Enals Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Aromatic alcohols Organonitrogen compounds Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamaldehyde - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Styrene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Tertiary alcohol - Azole - Alpha,beta-unsaturated aldehyde - Imidazole - Heteroaromatic compound - Enal - Organoheterocyclic compound - Azacycle - Ether - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Aldehyde - Alcohol - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
External Descriptors
Not available