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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
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
2-bromoanilines Aryl thioethers Dialkylarylamines Bromobenzenes Aryl bromides Heteroaromatic compounds 1,3,4-oxadiazoles Amino acids Thioenol ethers Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
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