Compound Identification
SMILES
CC1=CC=C(C=C1)C1=CC([NH2+]C(N1)C1=CC=CC=C1[N+]([O-])=O)C1=C(O)C=CC(Br)=C1
InChIKey
InChIKey=URDINQNSTYGWLX-UHFFFAOYSA-O
Formula
C23H21BrN3O3
Mass
467.342
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
P-bromophenols Nitroaromatic compounds Toluenes 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Aryl bromides Hydropyrimidines Quaternary ammonium salts Azacyclic compounds Organic oxoazanium compounds Enamines Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organobromides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 4-halophenol - 4-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Toluene - Phenol - Aryl bromide - Aryl halide - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Quaternary ammonium salt - Organic nitro compound - C-nitro compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Enamine - Organonitrogen compound - Organobromide - Organohalogen compound - Organic salt - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - 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