Compound Identification
SMILES
CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)\C=C\C1=C(F)C=CC(Br)=C1
InChIKey
InChIKey=ZTMPSTQHMXCLIK-JXMROGBWSA-N
Formula
C20H17BrFN3O2
Mass
430.277
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
Quinazolines Styrenes Pyrimidones Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Diazanaphthalene - Quinazoline - Styrene - Halobenzene - Fluorobenzene - Pyrimidone - Bromobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Organobromide - 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