Structure Information
Structure

Compound Identification

SMILES

CC(=O)N1CCN(CC1)C(=O)\C=C\C1=CC(=C(SC2=C(Cl)C(Cl)=CC=C2)C=C1)[N+]([O-])=O

InChIKey

InChIKey=LNUHEJIWTOBAQF-SOFGYWHQSA-N

Formula

C21H19Cl2N3O4S

Mass

480.36

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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 - Diarylthioether - Nitrobenzene - 1,2-dichlorobenzene - Aryl thioether - Styrene - Thiophenol ether - Nitroaromatic compound - Halobenzene - Chlorobenzene - Aryl chloride - 1,4-diazinane - Piperazine - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Acetamide - Carboxamide group - C-nitro compound - Organic nitro compound - Sulfenyl compound - Thioether - Organic oxoazanium - Carboxylic acid derivative - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic cation - 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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