Compound Identification
SMILES
BrC1=CC2=C(OCO2)C=C1\C=C\C(=O)C1=CN=CC=C1
InChIKey
InChIKey=IPOJGVIADCOTMT-ONEGZZNKSA-N
Formula
C15H10BrNO3
Mass
332.153
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
Benzodioxoles Styrenes Aryl ketones Pyridines and derivatives Aryl bromides Acryloyl compounds Enones Heteroaromatic compounds Acetals Azacyclic compounds Oxacyclic compounds Aldehydes Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Benzodioxole - Styrene - Aryl ketone - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Acryloyl-group - Enone - Ketone - Organoheterocyclic compound - Oxacycle - Azacycle - Acetal - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aldehyde - Organopnictogen 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