Compound Identification
SMILES
[O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)C12CC3CC(CC(C3)(C1)C(=O)CCl)C2
InChIKey
InChIKey=IJRDCQFBVJZMAA-UHFFFAOYSA-N
Formula
C13H16ClN3O7
Mass
361.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Alpha-haloketones
- Level 7 Alpha-chloroketones
-
Level 6
Alpha-haloketones
-
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 - Alpha-haloketones
Direct Parent
Alpha-chloroketones
Alternative Parents
Orthocarboxylic acid derivatives Ortho amides C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl chlorides Organic cations
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Alpha-chloroketone - C-nitro compound - Ortho amide - Orthocarboxylic acid derivative - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl chloride - Alkyl halide - Organic nitrogen compound - Organic salt - Organic cation - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-chloroketones. These are organic compounds contaning a chlorine atom attached to the alpha carbon atom relative to C=O group.
External Descriptors
Not available