Compound Identification
SMILES
CCOC(=O)C(=CNC1=C(C#N)C(F)=CC=C1)C#N
InChIKey
InChIKey=OXGKSBBKPKXZEO-UHFFFAOYSA-N
Formula
C13H10FN3O2
Mass
259.24
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
Aniline and substituted anilines Fluorobenzenes Aryl fluorides Vinylogous amides Enoate esters Nitriles Monocarboxylic acids and derivatives Enamines Allylamines Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Enamine - Allylamine - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic oxide - Organonitrogen compound - Amine - Organooxygen compound - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen 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