Compound Identification
SMILES
CC1=C(\C(ON1)=C\C=C1/C=C(Br)C=CC1=O)[N+]([O-])=O
InChIKey
InChIKey=IUPCKTRHTUGYSK-RSNNLRNESA-N
Formula
C12H9BrN2O4
Mass
325.118
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
Isoxazolines C-nitro compounds Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Bromoalkenes Organic oxoazanium compounds N-organohydroxylamines Aldehydes Organic oxides Hydrocarbon derivatives Organic salts Organobromides Organopnictogen compounds Organic cations
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
O-quinomethane - Isoxazoline - C-nitro compound - Organic nitro compound - Organic oxoazanium - Vinyl bromide - Vinyl halide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Haloalkene - Bromoalkene - N-organohydroxylamine - Azacycle - Oxacycle - Organopnictogen compound - Organic oxide - Organohalogen compound - Organic salt - Aldehyde - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aliphatic 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