Compound Identification
SMILES
ClC1=C(OCCN2C=NN=N2)C(Cl)=C(C=C1)C(=O)C1C(=O)CCCC1=O
InChIKey
InChIKey=NDEGQDKRNJHKOL-UHFFFAOYSA-N
Formula
C16H14Cl2N4O4
Mass
397.21
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
Aryl alkyl ketones Phenoxy compounds Phenol ethers Benzoyl derivatives Dichlorobenzenes Alkyl aryl ethers Beta-diketones Aryl chlorides Vinylogous halides Tetrazoles Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoylcyclohexane-1,3-dione - Benzoyl - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Chlorobenzene - Halobenzene - 1,3-diketone - Aryl halide - Monocyclic benzene moiety - Aryl chloride - 1,3-dicarbonyl compound - Benzenoid - Tetrazole - Vinylogous halide - Azole - Heteroaromatic compound - Cyclic ketone - Organoheterocyclic compound - Ether - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic 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