Compound Identification
SMILES
COC1=C(OC)C=C(C=CC(=O)OCC(=O)NC2=C(Cl)C=C(Cl)C=N2)C=C1
InChIKey
InChIKey=CXKKVANJWAMNPP-UHFFFAOYSA-N
Formula
C18H16Cl2N2O5
Mass
411.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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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 esters Dimethoxybenzenes Styrenes Polyhalopyridines Phenoxy compounds Anisoles N-arylamides Alkyl aryl ethers Fatty acid esters Imidolactams Aryl chlorides Heteroaromatic compounds Enoate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenol ether - Styrene - N-arylamide - Phenoxy compound - Polyhalopyridine - Methoxybenzene - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Imidolactam - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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