Compound Identification
SMILES
[O-][N+](=O)C1=CC(=CNNC2=NC(=NC(NC3=CC(Br)=CC=C3)=N2)N2CCOCC2)C(=O)C(Br)=C1
InChIKey
InChIKey=PAGGYVHZDSICDG-UHFFFAOYSA-N
Formula
C20H18Br2N8O4
Mass
594.224
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
Dialkylarylamines Aniline and substituted anilines 1,3,5-triazine-2,4-diamines Bromobenzenes 1,3,5-triazines Morpholines Aryl bromides Alpha-haloketones Heteroaromatic compounds Vinylogous amides C-nitro compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Bromoalkenes Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Vinyl bromides 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 - Dialkylarylamine - O-quinomethane - Amino-1,3,5-triazine - Aminotriazine - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Triazine - Aryl halide - Monocyclic benzene moiety - Oxazinane - 1,3,5-triazine - Morpholine - Alpha-haloketone - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - C-nitro compound - Oxacycle - Azacycle - Bromoalkene - Dialkyl ether - Ether - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl bromide - Organic salt - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Amine - Hydrazine derivative - Organic nitrogen compound - Organic zwitterion - 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