Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC2=C(C=C1)N(CC=C)C(S2)=NC(=O)C=CC1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=CJCGHMLDGMZLCL-UHFFFAOYSA-N

Formula

C20H15N3O5S

Mass

409.42

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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 heteropolycyclic compounds

Substituents

Cinnamic acid or derivatives - Benzodioxole - 1,3-benzothiazole - Nitroaromatic compound - Styrene - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Isothiourea - C-nitro compound - Organic nitro compound - N-acylimine - Acetal - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organic salt - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic 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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