Structure Information
Structure

Compound Identification

SMILES

CCC1=NN=C(O1)S\C(=C\C1=CC(Br)=C(C=C1)N(C)C)C(O)=O

InChIKey

InChIKey=MNORZWVZZOGFEJ-XYOKQWHBSA-N

Formula

C15H16BrN3O3S

Mass

398.28

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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 heteromonocyclic compounds

Substituents

Cinnamic acid - Aryl thioether - Tertiary aliphatic/aromatic amine - 2-bromoaniline - Dialkylarylamine - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Benzenoid - Oxadiazole - Azole - 1,3,4-oxadiazole - Heteroaromatic compound - Thioenolether - Tertiary amine - Amino acid - Amino acid or derivatives - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteromonocyclic 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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