Compound Identification
SMILES
OC(=O)C(=O)\C=C(/NNC1=C2C=C(Br)C=CC2=NC1=O)C1=CC=CC=C1
InChIKey
InChIKey=PLCFFLGMDVWSRH-ZROIWOOFSA-N
Formula
C18H12BrN3O4
Mass
414.215
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
Alpha amino acids and derivatives Indoles and derivatives Styrenes Alpha-keto acids and derivatives Aryl bromides Vinylogous amides Acryloyl compounds Alpha-hydroxy ketones Enones N-acylimines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organobromides Organic oxides Hydrazines and derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Indole or derivatives - Styrene - Alpha-keto acid - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Keto acid - Acryloyl-group - Alpha-hydroxy ketone - Vinylogous amide - Alpha,beta-unsaturated ketone - Enone - N-acylimine - Ketone - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organohalogen compound - Organobromide - Hydrazine derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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