Compound Identification
SMILES
COC1=C(O)C(Br)=CC(C=C(C#N)C(N)=O)=C1
InChIKey
InChIKey=QRGSSWYQKGUUQU-UHFFFAOYSA-N
Formula
C11H9BrN2O3
Mass
297.108
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxycinnamic acids and derivatives
Alternative Parents
Cinnamic acid amides Methoxyphenols Phenoxy compounds O-bromophenols Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Primary carboxylic acid amides Nitriles Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hydroxycinnamic acid or derivatives - Cinnamic acid amide - Methoxyphenol - Phenoxy compound - Anisole - 2-bromophenol - 2-halophenol - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Phenol - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Primary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Nitrile - Carbonitrile - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.
External Descriptors
Not available