Compound Identification
SMILES
CCC1CCC(CCC2COC(OC2)C2=CC(F)=C(C=C2)C#N)CC1
InChIKey
InChIKey=APBGEKFOJFMGSC-UHFFFAOYSA-N
Formula
C21H28FNO2
Mass
345.458
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Fluorobenzenes Aryl fluorides 1,3-dioxanes Oxacyclic compounds Nitriles Acetals Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Fluorobenzene - Halobenzene - Meta-dioxane - Aryl fluoride - Aryl halide - Acetal - Oxacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available