Compound Identification
SMILES
CCOC(=O)C(=O)\C=C(/O)C1=CC=CC=C1Br
InChIKey
InChIKey=RBASIFOZGBMLQM-YFHOEESVSA-N
Formula
C12H11BrO4
Mass
299.12
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Styrenes Fatty acid esters Bromobenzenes Aryl bromides Alpha-keto acids and derivatives Vinylogous acids Enones Acryloyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Enols Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Styrene - Bromobenzene - Fatty acid ester - Halobenzene - Fatty acyl - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Alpha-keto acid - Keto acid - Alpha,beta-unsaturated ketone - Vinylogous acid - Acryloyl-group - Enone - Carboxylic acid ester - Ketone - Enol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organobromide - Organooxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available