Compound Identification
SMILES
OC1=C(C=C(Cl)C=C1)C(=O)C1=CN=CC(=C1)C#N
InChIKey
InChIKey=XNDIONDYSUTQLW-UHFFFAOYSA-N
Formula
C13H7ClN2O2
Mass
258.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Aryl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Aryl-phenylketones
Alternative Parents
Pyridinecarboxylic acids and derivatives P-chlorophenols Benzoyl derivatives 3-pyridinecarbonitriles Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - Pyridine carboxylic acid or derivatives - Benzoyl - 4-halophenol - 4-chlorophenol - 3-pyridinecarbonitrile - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Pyridine - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Vinylogous acid - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic oxide - Organohalogen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available