Compound Identification
SMILES
COC1=C(O)C=C(C=C(C#N)C(=O)NC2=CC=CC=C2F)C(Br)=C1
InChIKey
InChIKey=JILOMYQMIFQZSC-UHFFFAOYSA-N
Formula
C17H12BrFN2O3
Mass
391.196
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 N-arylamides Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Fluorobenzenes Bromobenzenes Aryl bromides Aryl fluorides Secondary carboxylic acid amides Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid amide - Hydroxycinnamic acid or derivatives - Methoxyphenol - Anilide - 4-halophenol - Phenoxy compound - Anisole - 4-bromophenol - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Halobenzene - Fluorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Phenol - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Aryl bromide - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organobromide - Organic nitrogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - 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