Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC(F)F)C=CC(C=C(SC2=NN=C(O2)C2=CC=C(F)C=C2)C(O)=O)=C1

InChIKey

InChIKey=IHZDVJKGNQHOKK-UHFFFAOYSA-N

Formula

C19H13F3N2O5S

Mass

438.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid - Coumaric acid or derivatives - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - Aryl halide - Azole - Oxadiazole - 1,3,4-oxadiazole - Heteroaromatic compound - Thioenolether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Ether - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

External Descriptors

Not available

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