Compound Identification
SMILES
NC(=S)N1N=C(C(=NNC2=CC=C(Br)C=C2)C1=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=SOHNMPDKOROAQA-UHFFFAOYSA-N
Formula
C16H11BrN6O3S
Mass
447.27
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
Phenylhydrazines Nitroaromatic compounds Bromobenzenes Thiosemicarbazones Pyrazolones Aryl bromides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Hydrazones Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organobromides Organic oxides Organosulfur compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyrazolinone - Thiosemicarbazone - Pyrazoline - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Hydrazone - Azacycle - Organic oxoazanium - Organic zwitterion - Organobromide - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - 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