Compound Identification
SMILES
ON1C2=CN(O)C=CC2=NC1=C1C=CC(C=C1)=NC(=O)\C=C\C1=CC=C(F)C=C1
InChIKey
InChIKey=PURCWMHPYGLOHV-WBTWWXHHSA-N
Formula
C21H15FN4O3
Mass
390.374
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
Imidazopyridines Styrenes Fluorobenzenes Aryl fluorides N-substituted imidazoles Secondary ketimines Azomethines Heteroaromatic compounds N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives N-organohydroxylamines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Imidazopyridine - Styrene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Azomethine - Heteroaromatic compound - Imidazole - Secondary ketimine - N-acylimine - Carboxylic acid derivative - Azacycle - N-organohydroxylamine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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