Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC=C1C1=CC=C(O1)C=C1SC(NC2=CC=C(Br)C=C2)=NC1=O
InChIKey
InChIKey=RJQHLDOZVIELRQ-UHFFFAOYSA-N
Formula
C20H12BrN3O4S
Mass
470.3
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
Aniline and substituted anilines Nitroaromatic compounds Bromobenzenes Aryl bromides Thiazolines Furans Heteroaromatic compounds Isothioureas N-acylimines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organobromides Organopnictogen compounds Organic zwitterions Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Furan - Heteroaromatic compound - Meta-thiazoline - Isothiourea - C-nitro compound - N-acylimine - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxygen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - 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