Compound Identification
SMILES
CC1=CC=C(C=C1)C1=CC(NC(N1)C1=CC=CC=C1[N+]([O-])=O)C1=C(O)C=CC(Br)=C1
InChIKey
InChIKey=URDINQNSTYGWLX-UHFFFAOYSA-N
Formula
C23H20BrN3O3
Mass
466.335
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
P-bromophenols Nitroaromatic compounds Toluenes 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Aryl bromides Hydropyrimidines Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Organic oxoazanium compounds Hydrocarbon derivatives Organobromides Organic zwitterions Organic oxides Organooxygen compounds Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 4-halophenol - 4-bromophenol - Bromobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Toluene - Aryl bromide - Aryl halide - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Secondary amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Enamine - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organohalogen compound - Amine - Organic oxide - Organic oxygen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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