Compound Identification
SMILES
CC1=C(Br)C=CC(=C1)N1C(SCC1=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=MGWMWPOEYRJJDM-UHFFFAOYSA-N
Formula
C16H13BrN2O3S
Mass
393.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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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 Toluenes Bromobenzenes Aryl bromides Thiazolidines Tertiary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Dialkylthioethers Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organobromides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Dialkylthioether - Organic 1,3-dipolar compound - Thioether - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organic oxide - Organohalogen compound - Organobromide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic cation - 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