Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(CSCC(=O)NN=CC2=CC3=C(OCO3)C=C2Br)C=C1
InChIKey
InChIKey=IZLAGEDXGNCBIG-UHFFFAOYSA-N
Formula
C17H14BrN3O5S
Mass
452.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Aryl bromides Acetals Sulfenyl compounds Carboxylic acids and derivatives Dialkylthioethers Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Nitrobenzene - Nitroaromatic compound - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Acetal - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Organonitrogen compound - Organobromide - Organic oxygen compound - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available