Compound Identification
SMILES
COC1=CC(=CNNC(=O)OC(C)(C)C)C=C(Br)C1=O
InChIKey
InChIKey=YGXVONLKVAOXPH-UHFFFAOYSA-N
Formula
C13H17BrN2O4
Mass
345.193
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 P-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
P-quinomethanes
Alternative Parents
Hydrazinecarboxylic acid esters Alpha-haloketones Vinyl bromides Bromoalkenes Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
P-quinomethane - Hydrazinecarboxylic acid ester - Alpha-haloketone - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
External Descriptors
Not available