Compound Identification
SMILES
CCOC(=O)C(=C/Nc1ccc(cc1)C(C)C)\C(=O)c1ccccc1Cl
InChIKey
InChIKey=JWIFHBBKAANFSJ-AQTBWJFISA-N
Formula
C21H22ClNO3
Mass
371.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes Aniline and substituted anilines Aryl ketones Benzoyl derivatives Secondary alkylarylamines Beta-keto acids and derivatives Fatty acid esters Chlorobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Acryloyl compounds Vinylogous halides Vinylogous amides Enones Enoate esters Amino acids and derivatives Monocarboxylic acids and derivatives Enamines Allylamines Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cumene - Phenylpropane - Aryl ketone - Aniline or substituted anilines - Benzoyl - Halobenzene - Fatty acid ester - Beta-keto acid - Secondary aliphatic/aromatic amine - Chlorobenzene - Fatty acyl - Aryl halide - Alpha-branched alpha,beta-unsaturated-ketone - Keto acid - Aryl chloride - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Vinylogous halide - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Ketone - Enamine - Secondary amine - Carboxylic acid derivative - Allylamine - Monocarboxylic acid or derivatives - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available