Compound Identification
SMILES
[O-][N+](=O)C1=CC(=CNNC(=S)C2=CC=CC=C2)C(=O)C(Br)=C1
InChIKey
InChIKey=ZAEOYKFMGLEQDO-UHFFFAOYSA-N
Formula
C14H10BrN3O3S
Mass
380.22
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
Benzene and substituted derivatives Vinylogous amides Alpha-haloketones Thioamides C-nitro compounds Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Bromoalkenes Organic oxoazanium compounds Thiocarbonyl compounds Organic oxides Hydrocarbon derivatives Organic salts Organobromides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-quinomethane - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Vinylogous amide - Thioamide - C-nitro compound - Organic nitro compound - Bromoalkene - Haloalkene - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl bromide - Organic nitrogen compound - Organic oxide - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Organobromide - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic 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