Compound Identification
SMILES
BrC1=C(OCC(=O)NNC(=O)C=CC2=CC=CC=C2)C=CC2=CC=CC=C12
InChIKey
InChIKey=PPCDJQBMQVXIDN-UHFFFAOYSA-N
Formula
C21H17BrN2O3
Mass
425.282
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
Naphthalenes Styrenes Phenol ethers Alkyl aryl ethers Diacylhydrazines Aryl bromides Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cinnamic acid or derivatives - Naphthalene - Styrene - Phenol ether - Alkyl aryl ether - Diacylhydrazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid hydrazide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic 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