Compound Identification
SMILES
OC(CN1C=NC=N1)(C(=O)C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=GEOISZQFKKJICL-UHFFFAOYSA-N
Formula
C17H13ClFN3O2
Mass
345.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Stilbenes
Subclass
Benzoins
Intermediate Tree Nodes
Not available
Direct Parent
Benzoins
Alternative Parents
Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives Chlorobenzenes Fluorobenzenes Acyloins Aryl fluorides Aryl chlorides Heteroaromatic compounds Triazoles Tertiary alcohols Alpha-hydroxy ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Aromatic alcohols Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoin - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Fluorobenzene - Halobenzene - Acyloin - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - 1,2,4-triazole - Tertiary alcohol - Heteroaromatic compound - Azole - Ketone - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic alcohol - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoins. These are organic compounds containing a 1,2-hydroxy ketone attached to two phenyl groups.
External Descriptors
Not available