Compound Identification
SMILES
OC(CN1CCSC1=N)C1=CC(=CC(Br)=C1)[N+]([O-])=O
InChIKey
InChIKey=YBXIIFNDKZZTTI-UHFFFAOYSA-N
Formula
C11H12BrN3O3S
Mass
346.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitroaromatic compounds Bromobenzenes Aryl bromides Thiazolidines Secondary alcohols Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Organic oxoazanium compounds Imines Hydrocarbon derivatives Aromatic alcohols Organic zwitterions Organic salts Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Thiazolidine - Isothiourea - C-nitro compound - Secondary alcohol - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organobromide - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Alcohol - Imine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic alcohol - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available