Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC2=NC(Cl)=NC=C2F)C=C(C=C(C#N)C(=O)NC2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=KYTIBDVTSPVIHJ-UHFFFAOYSA-N

Formula

C21H13Cl2FN4O3

Mass

459.26

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acid amides

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acid amides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid amide - Diaryl ether - Anilide - Anisole - Phenoxy compound - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - 2-halopyrimidine - Halobenzene - Halopyrimidine - Pyrimidine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Aryl fluoride - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Carbonyl group - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Cyanide - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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