Compound Identification
SMILES
COC1=CC=C(C=CC(=O)OC2=CC=CC(C=NNC(=O)COC3=C(Br)C=C(Cl)C=C3)=C2)C=C1
InChIKey
InChIKey=VRQJDGPKSXPPCY-UHFFFAOYSA-N
Formula
C25H20BrClN2O5
Mass
543.8
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
Phenol esters Styrenes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Fatty acid esters Chlorobenzenes Aryl bromides Aryl chlorides Enoate esters Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid ester - Phenol ester - Phenol ether - Styrene - Phenoxy compound - Methoxybenzene - Anisole - Halobenzene - Bromobenzene - Alkyl aryl ether - Fatty acid ester - Chlorobenzene - Aryl bromide - Aryl chloride - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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