Compound Identification
SMILES
COC(=O)C(=C\C1=CC(Br)=C(F)C=C1)\C(C)=O
InChIKey
InChIKey=CSWGTLKNBNHNTE-WEVVVXLNSA-N
Formula
C12H10BrFO3
Mass
301.111
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid esters
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid esters
Alternative Parents
Beta-keto acids and derivatives Bromobenzenes Fatty acid esters Fluorobenzenes Aryl fluorides Aryl bromides Alpha-branched alpha,beta-unsaturated ketones Methyl esters Enones Enoate esters Acryloyl compounds Ketones Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid ester - Fluorobenzene - Halobenzene - Fatty acid ester - Bromobenzene - Beta-keto acid - Benzenoid - Aryl halide - Monocyclic benzene moiety - Keto acid - Alpha-branched alpha,beta-unsaturated-ketone - Fatty acyl - Aryl fluoride - Aryl bromide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Acryloyl-group - Methyl ester - Enone - Alpha,beta-unsaturated ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organobromide - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
External Descriptors
Not available