Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=NCC#CC2=CC=C(Br)S2)C=C1
InChIKey
InChIKey=JHSOFTAZMDIIQE-UHFFFAOYSA-N
Formula
C14H9BrN2O2S
Mass
349.2
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 2,5-disubstituted thiophenes Aryl bromides Heteroaromatic compounds Shiff bases Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Heteroaromatic compound - Thiophene - Organic nitro compound - C-nitro compound - Shiff base - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Aldimine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic salt - Imine - Hydrocarbon derivative - 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