Compound Identification
SMILES
COC1=C(C=C(C(=O)C(O)=O)C2=NC3=CC=CC=C3C=C2)C=C(Br)C=C1
InChIKey
InChIKey=RIKJAKAUMIEMKS-UHFFFAOYSA-N
Formula
C20H14BrNO4
Mass
412.239
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
Quinolines and derivatives Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Pyridines and derivatives Alpha-branched alpha,beta-unsaturated ketones Alpha-keto acids and derivatives Aryl bromides Acryloyl compounds Alpha-hydroxy ketones Heteroaromatic compounds Enones Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Quinoline - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Halobenzene - Alkyl aryl ether - Bromobenzene - Alpha-branched alpha,beta-unsaturated-ketone - Aryl bromide - Benzenoid - Alpha-keto acid - Pyridine - Keto acid - Aryl halide - Monocyclic benzene moiety - Acryloyl-group - Alpha-hydroxy ketone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Ketone - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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