Compound Identification
SMILES
OC1=C(NC=C2C=C(Br)C=CC2=O)N=CC=C1
InChIKey
InChIKey=LJLNDEAMRRCDLN-UHFFFAOYSA-N
Formula
C12H9BrN2O2
Mass
293.12
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
Hydroxypyridines Aminopyridines and derivatives Imidolactams Vinylogous amides Heteroaromatic compounds Vinyl bromides Enamines Bromoalkenes Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Aminopyridine - Hydroxypyridine - Pyridine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Enamine - Vinyl bromide - Vinyl halide - Azacycle - Bromoalkene - Organoheterocyclic compound - Haloalkene - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organohalogen compound - Organobromide - Aromatic heteromonocyclic 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