Compound Identification
SMILES
CC12CC3(C)CC(C)(C1)CC(CNC=C1C=C(Br)C=C(C1=O)[N+]([O-])=O)(C2)C3
InChIKey
InChIKey=UPBWHSJKFMVIDA-UHFFFAOYSA-N
Formula
C21H27BrN2O3
Mass
435.362
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 O-quinomethanes
-
Level 7
Quinomethanes
-
Level 6
Cyclic 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 - Cyclic ketones - Quinomethanes
Direct Parent
O-quinomethanes
Alternative Parents
Vinylogous amides C-nitro compounds Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Enamines Dialkylamines Bromoalkenes Allylamines Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
O-quinomethane - Vinylogous amide - C-nitro compound - Organic nitro compound - Secondary aliphatic amine - Enamine - Allylamine - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Vinyl halide - Vinyl bromide - Amine - Organonitrogen compound - Organobromide - Organic zwitterion - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available