Compound Identification
SMILES
CCN(CC)C(=O)\C=C(/C1=CC2=C(O1)C=CC(Br)=C2)C1=CC=C(OC)C=C1
InChIKey
InChIKey=WFQGGAYQNIZQMX-RGEXLXHISA-N
Formula
C22H22BrNO3
Mass
428.326
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
Benzofurans Styrenes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aryl bromides Tertiary carboxylic acid amides Furans Heteroaromatic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Benzofuran - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Tertiary carboxylic acid amide - Carboxamide group - Ether - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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