Compound Identification
SMILES
[O-][N+](=O)C1=CC(Cl)=C(C=C1)C(=O)C1C(=O)CCCC1=O
InChIKey
InChIKey=SFMJIAPQQWELGM-UHFFFAOYSA-N
Formula
C13H10ClNO5
Mass
295.68
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
Alkyl-phenylketones
- Level 9 Benzoylcyclohexane-1,3-diones
-
Level 8
Alkyl-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 - Alkyl-phenylketones
Direct Parent
Benzoylcyclohexane-1,3-diones
Alternative Parents
Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Beta-diketones Chlorobenzenes Aryl chlorides Vinylogous halides Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoylcyclohexane-1,3-dione - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - 1,3-diketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Vinylogous halide - Organic nitro compound - C-nitro compound - Cyclic ketone - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoylcyclohexane-1,3-diones. These are alkyl-phenylketones where the alkyl group is a cyclohexane 1,3-dione.
External Descriptors
Not available