Compound Identification
SMILES
OC1=C2NC(NC3=CC=CC=C3Br)=NS(=O)(=O)C2=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=YKEVWJLHADDVBF-UHFFFAOYSA-N
Formula
C13H9BrN4O5S
Mass
413.2
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiadiazines
- Subclass Benzothiadiazines
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Class
Thiadiazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiadiazines
Subclass
Benzothiadiazines
Intermediate Tree Nodes
Not available
Direct Parent
1,2,4-benzothiadiazine-1,1-dioxides
Alternative Parents
Aniline and substituted anilines Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Bromobenzenes Aryl bromides Organosulfonic acids and derivatives Guanidines Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organobromides Organooxygen compounds Amines Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2,4-benzothiadiazine-1,1-dioxide - Nitroaromatic compound - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Guanidine - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organobromide - Organic nitrogen compound - Organohalogen compound - Organic salt - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2,4-benzothiadiazine-1,1-dioxides. These are aromatic heterocyclic compounds containing a 1,2,4-benzothiadiazine ring system with two S=O bonds at the 1-position.
External Descriptors
Not available