Compound Identification
SMILES
CC(C)(C)OC(=O)[C@@]1(CC2=C(C=CC(Cl)=C2)C1=O)C(=C)C#N
InChIKey
InChIKey=GHUPJOHBOUSUCA-KRWDZBQOSA-N
Formula
C17H16ClNO3
Mass
317.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Indanes
Subclass
Indanones
Intermediate Tree Nodes
Not available
Direct Parent
Indanones
Alternative Parents
Aryl alkyl ketones Fatty acid esters Aryl chlorides Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Indanone - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - Aryl chloride - Aryl halide - Fatty acyl - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
External Descriptors
Not available