Compound Identification
SMILES
CC1=C(C)C=C(NC(=O)COC2=CC=CC(C=C(C#N)C(=O)NC3=CC(Cl)=C(Cl)C=C3)=C2)C=C1
InChIKey
InChIKey=QENQNDOYYJADOL-UHFFFAOYSA-N
Formula
C26H21Cl2N3O3
Mass
494.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid amides Anilides o-Xylenes Phenoxy compounds Phenol ethers N-arylamides Dichlorobenzenes Alkyl aryl ethers Aryl chlorides Secondary carboxylic acid amides Nitriles Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid amide - Coumaric acid or derivatives - Anilide - Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - O-xylene - Xylene - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Secondary carboxylic acid amide - Carboxamide group - Nitrile - Carbonitrile - Ether - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available