Structure Information
Structure

Compound Identification

SMILES

CCC1=NC(S\C(=C/C2=CC(Cl)=CC(Br)=C2O)C(O)=O)=NN1

InChIKey

InChIKey=YOGHYHNKJRGHHI-WTKPLQERSA-N

Formula

C13H11BrClN3O3S

Mass

404.66

Export to:

JSON SDF CSV

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

Hydroxycinnamic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Coumaric acid or derivatives - Coumaric acid - Cinnamic acid - Hydroxycinnamic acid - Aryl thioether - 4-chlorophenol - 4-halophenol - 2-halophenol - 2-bromophenol - Chlorobenzene - Halobenzene - Phenol - Bromobenzene - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Azole - 1,2,4-triazole - Heteroaromatic compound - Thioenolether - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as hydroxycinnamic acids. These are compounds containing an cinnamic acid where the benzene ring is hydroxylated.

External Descriptors

Not available

Previous Back Next