Compound Identification
SMILES
ClC1=NC=C(Br)C(=O)N1CC1=CC=CC=C1C#N
InChIKey
InChIKey=MJVWKVUAINTICA-UHFFFAOYSA-N
Formula
C12H7BrClN3O
Mass
324.56
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
Pyrimidones 2-halopyrimidines Hydropyrimidines Aryl chlorides Aryl bromides Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - 2-halopyrimidine - Halopyrimidine - Pyrimidone - Aryl bromide - Aryl chloride - Aryl halide - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Lactam - Azacycle - Nitrile - Carbonitrile - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen 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