Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCC([O-])=O)C=C(Cl)C(=C1)[C@H]1NC(=O)NC(C2=CC=CC=C2)=C1C(C)=O

InChIKey

InChIKey=SRZRMNUOTQXZDM-HXUWFJFHSA-M

Formula

C21H18ClN2O6

Mass

429.83

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid or derivatives - Phenoxyacetate - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Halobenzene - Alkyl aryl ether - Pyrimidone - Chlorobenzene - Hydropyrimidine - Pyrimidine - Aryl halide - Aryl chloride - 1,2,3,4-tetrahydropyrimidine - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Ketone - Urea - Carboxylic acid salt - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic anion - Aromatic heteromonocyclic 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

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