Compound Identification
SMILES
CCC1=CC=C(NC(=O)C(=CC2=CC(Br)=CC(OC)=C2O)C#N)C=C1
InChIKey
InChIKey=TWKHLCLANYJJAT-UHFFFAOYSA-N
Formula
C19H17BrN2O3
Mass
401.26
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 Anilides Phenoxy compounds P-bromophenols Anisoles Methoxybenzenes N-arylamides Alkyl aryl ethers Bromobenzenes Aryl bromides Secondary carboxylic acid amides Nitriles Organic oxides Carbonyl compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid amide - Hydroxycinnamic acid or derivatives - Methoxyphenol - Anilide - 4-halophenol - Phenoxy compound - Anisole - 4-bromophenol - Methoxybenzene - Phenol ether - N-arylamide - Alkyl aryl ether - Halobenzene - Bromobenzene - Phenol - Aryl bromide - Monocyclic benzene moiety - Benzenoid - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organobromide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - 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