Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)C1=CSC(NC(=S)NC(=O)C=CC2=CC(=C(Cl)C=C2)[N+]([O-])=O)=N1

InChIKey

InChIKey=AYBSNZDAUCTMTC-UHFFFAOYSA-N

Formula

C21H17ClN4O5S2

Mass

504.96

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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 - Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Halobenzene - Chlorobenzene - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Thiourea - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - 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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