Compound Identification
SMILES
CC1=CC=C(C=C1)C1=CC(NC(N1)C1=CC(=C(Cl)C=C1)[N+]([O-])=O)C1=C(O)C=CC(Br)=C1
InChIKey
InChIKey=SXNDAOIMAIQNPT-UHFFFAOYSA-N
Formula
C23H19BrClN3O3
Mass
500.78
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
P-bromophenols Nitroaromatic compounds Toluenes 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Hydropyrimidines Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Enamines Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 4-bromophenol - 4-halophenol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Bromobenzene - Halobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Aryl halide - Organic nitro compound - C-nitro compound - Secondary amine - Enamine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Amine - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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