Compound Identification
SMILES
[O-][N+](=O)C1=C\C(=C\NNC2=NC(NC3=CC=CC=C3)=NC(NC3=CC=CC=C3)=N2)C(=O)C(Br)=C1
InChIKey
InChIKey=UMPSMZUNMUWSQO-YPKPFQOOSA-N
Formula
C22H17BrN8O3
Mass
521.335
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 C-nitro compounds Vinyl bromides Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Bromoalkenes Hydrazines and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4-diamine-s-triazine - Aniline or substituted anilines - O-quinomethane - Amino-1,3,5-triazine - Aminotriazine - Monocyclic benzene moiety - 1,3,5-triazine - Triazine - Benzenoid - Alpha-haloketone - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Organic nitro compound - Azacycle - Bromoalkene - Organic oxoazanium - Secondary amine - Haloalkene - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Hydrocarbon derivative - Hydrazine derivative - Amine - Organic zwitterion - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organobromide - Organic salt - 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