Compound Identification
SMILES
CCCCOC1=C(NC2=C(Cl)C(C)=C(C=C2)C#N)C(=O)C1=O
InChIKey
InChIKey=JTTPFXDKAKQTPE-UHFFFAOYSA-N
Formula
C16H15ClN2O3
Mass
318.76
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 Aminotoluenes Chlorobenzenes Alkyl aryl ethers Primary aromatic amines Aryl chlorides Vinylogous esters Vinylogous amides Cyclic ketones Secondary amines Nitriles Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - Aminotoluene - Aniline or substituted anilines - Alkyl aryl ether - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Primary aromatic amine - Vinylogous ester - Vinylogous amide - Cyclic ketone - Ether - Secondary amine - Carbonitrile - Nitrile - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organochloride - 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