Compound Identification
SMILES
COC1=CC(Br)=CC(=CNNC2=NC(=O)[C@H](CC([O-])=O)S2)C1=O
InChIKey
InChIKey=ZMZCQKQSDIHXRB-VIFPVBQESA-M
Formula
C13H11BrN3O5S
Mass
401.21
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
Vinylogous amides Thiazolines N-acylimines Carboxylic acid salts Vinyl bromides Monocarboxylic acids and derivatives Carboxylic acids Bromoalkenes Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
O-quinomethane - Meta-thiazoline - Vinylogous amide - Carboxylic acid salt - N-acylimine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Vinyl bromide - Vinyl halide - Azacycle - Bromoalkene - Organoheterocyclic compound - Haloalkene - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organic anion - 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