Structure Information
Structure

Compound Identification

SMILES

CC1=NOC(N2C(C(O)=O)=C(C3=CC4=C(OCO4)C=C3)C3=CC=CC=C3S2(=O)=O)=C1C

InChIKey

InChIKey=YZAGTCAJVKDRAW-UHFFFAOYSA-N

Formula

C21H16N2O7S

Mass

440.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acids

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid - Alpha-amino acid or derivatives - Benzothiazine - Benzodioxole - Ortho-thiazine - Organosulfonic acid amide - Benzenoid - Isoxazole - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Carboxylic acid - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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