Compound Identification
SMILES
CC(F)C(=O)OC1CCC(CC1)C1=CC(C#N)=C(C=C1)C1CCC(CC1)OC(=O)C(C)F
InChIKey
InChIKey=HYRMWPICQBQJHW-UHFFFAOYSA-N
Formula
C25H31F2NO4
Mass
447.523
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
Dicarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives Carboxylic acid esters Nitriles Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Carbonyl group - Cyanide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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