Compound Identification
SMILES
CCN(N\C=C1\C=C(Br)C=CC1=O)C1=C(C#N)C(C)=CC(Cl)=N1
InChIKey
InChIKey=URZOSSNWGCXYPG-LUAWRHEFSA-N
Formula
C16H14BrClN4O
Mass
393.67
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
3-pyridinecarbonitriles 2-halopyridines Methylpyridines Aryl chlorides Imidolactams Vinylogous amides Heteroaromatic compounds Vinyl bromides Alkylhydrazines Azacyclic compounds Bromoalkenes Nitriles Organobromides Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - 3-pyridinecarbonitrile - 2-halopyridine - Methylpyridine - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Vinylogous amide - Heteroaromatic compound - Azacycle - Alkylhydrazine - Carbonitrile - Nitrile - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Haloalkene - Bromoalkene - Organochloride - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrazine derivative - Hydrocarbon derivative - Cyanide - 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