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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Hydroxycinnamic acids
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Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
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
Coumaric acids Cinnamic acids P-chlorophenols Aryl thioethers O-bromophenols Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Triazoles Heteroaromatic compounds Thioenol ethers Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds
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