Compound Identification
SMILES
ClC1=C\C(=C/NNC2=NC(NC3=CC=CC=C3)=NC(NC3=CC=CC=C3)=N2)C(=O)C(Br)=C1
InChIKey
InChIKey=PVJJFULARYUQFV-BUHFOSPRSA-N
Formula
C22H17BrClN7O
Mass
510.78
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
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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
1,3,5-triazine-2,4-diamines Aniline and substituted anilines 1,3,5-triazines Vinylogous amides Alpha-haloketones Heteroaromatic compounds Vinyl chlorides Vinyl bromides Secondary amines Azacyclic compounds Chloroalkenes Bromoalkenes Hydrazines and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4-diamine-s-triazine - O-quinomethane - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Monocyclic benzene moiety - 1,3,5-triazine - Triazine - Benzenoid - Alpha-haloketone - Heteroaromatic compound - Vinylogous amide - Azacycle - Secondary amine - Chloroalkene - Vinyl bromide - Vinyl chloride - Vinyl halide - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Hydrazine derivative - Amine - 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