Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(N=C2N=CNN2[C@@H]1C1=CC=C(OC)C=C1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=DGRGQYKWFHISQE-GOSISDBHSA-N

Formula

C20H17ClN4O3

Mass

396.83

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acid esters

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid ester - Triazolopyrimidine - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - 1,6-dihydropyrimidine - Hydropyrimidine - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Triazoline - Methyl ester - Carboxylic acid ester - Carboxylic acid amidrazone - Amidine - Formamidine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.

External Descriptors

Not available

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