Compound Identification
SMILES
CCCC(=O)N(CC1=C(Cl)C=C(C=C1)C#N)C1=C(NC(C)(C)C)C(=O)C1=O
InChIKey
InChIKey=VNKLOWYKMDLFEM-UHFFFAOYSA-N
Formula
C20H22ClN3O3
Mass
387.86
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
Secondary alkylarylamines Chlorobenzenes Aryl chlorides Vinylogous amides Tertiary carboxylic acid amides Cyclic ketones Amino acids and derivatives Nitriles Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - Secondary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Cyclic ketone - Secondary amine - Carboxylic acid derivative - Carbonitrile - Nitrile - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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