Compound Identification
SMILES
CC1=CC=CC=C1NC=C1C=C(Br)C=C(C)C1=O
InChIKey
InChIKey=UKDRJRTXEADLAU-UHFFFAOYSA-N
Formula
C15H14BrNO
Mass
304.187
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
Aniline and substituted anilines Aminotoluenes Vinylogous amides Vinyl bromides Enamines Bromoalkenes Allylamines Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-quinomethane - Aminotoluene - Aniline or substituted anilines - Toluene - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Enamine - Allylamine - Vinyl bromide - Vinyl halide - Bromoalkene - Haloalkene - Organonitrogen compound - Organobromide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic 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