Compound Identification
SMILES
COC1=C(OCC2=CC3=C(OCO3)C=C2)C(Cl)=CC(\C=C(/C#N)C(=O)N2CCC3=CC=CC=C23)=C1
InChIKey
InChIKey=INCWVGHIPCONNM-KEBDBYFISA-N
Formula
C27H21ClN2O5
Mass
488.92
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 Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Acetals Oxacyclic compounds Azacyclic compounds Nitriles Organopnictogen compounds Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Benzodioxole - Indole or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Acetal - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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