Compound Identification
SMILES
COC1=C\C(=C/NC2=C(C#N)C(C)=C(C)O2)C=C(Br)C1=O
InChIKey
InChIKey=QDILJIUFZHPGBM-YFHOEESVSA-N
Formula
C15H13BrN2O3
Mass
349.184
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
Heteroaromatic compounds Furans Alpha-haloketones Vinyl bromides Oxacyclic compounds Nitriles Enamines Bromoalkenes Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-quinomethane - Alpha-haloketone - Furan - Heteroaromatic compound - Enamine - Carbonitrile - Nitrile - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Haloalkene - Bromoalkene - Oxacycle - Organopnictogen compound - Organic nitrogen compound - Aldehyde - Organohalogen compound - Organobromide - Organonitrogen compound - Cyanide - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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