Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(\C=C\C(=O)NC(=S)NC2=CC3=C(OC(=N3)C3=CC(F)=C(F)C=C3Cl)C=C2)=C1

InChIKey

InChIKey=XCTXGLGXRWFDQZ-QPJJXVBHSA-N

Formula

C23H13ClF2N4O4S

Mass

514.89

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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 - Phenyl-1,3-oxazole - Nitrobenzene - Benzoxazole - Nitroaromatic compound - Styrene - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl fluoride - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Oxazole - Azole - Heteroaromatic compound - Thiourea - C-nitro compound - Organic nitro compound - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxide - Organic oxygen compound - Organic zwitterion - Organohalogen compound - Carbonyl group - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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