Compound Identification
SMILES
CC(=O)C(\N\N=C1/C=C(Cl)C(=CC1=O)[N+]([O-])=O)=C(/C)NC(C)(C)C
InChIKey
InChIKey=XRXDEDWTLVZPES-FNOJWORKSA-N
Formula
C15H19ClN4O4
Mass
354.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
- 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
Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
Direct Parent
Alpha-branched alpha,beta-unsaturated ketones
Alternative Parents
Vinylogous amides Acryloyl compounds Enones C-nitro compounds Cyclic ketones Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Organic oxoazanium compounds Dialkylamines Hydrazones Enamines Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Vinylogous amide - Ketone - Organic nitro compound - C-nitro compound - Cyclic ketone - Secondary aliphatic amine - Enamine - Hydrazone - Chloroalkene - Organic oxoazanium - Vinyl chloride - Vinyl halide - Haloalkene - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organochloride - Organonitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organohalogen compound - Organic salt - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-branched alpha,beta-unsaturated ketones. These are alpha,beta-unsaturated ketones that carry a branch on the alpha carbon. They have the generic structure RC(=O)C(R')=C, R = organyl group and R'= any heteroatom.
External Descriptors
Not available