Structure Information
Structure

Compound Identification

SMILES

CCC1=NC(S\C(=C\C2=CC(Br)=C(C=C2)N(C)C)C([O-])=O)=NN1

InChIKey

InChIKey=WPZWUFUAKMBROH-XYOKQWHBSA-M

Formula

C15H16BrN4O2S

Mass

396.28

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