Compound Identification
SMILES
CC1=CC=C(C=C1)C1=N[C@H](N[C@H](C1)C1=C(O)C=CC(Br)=C1)C1=CC(=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=VQCNFYVWJGVIRN-NFBKMPQASA-N
Formula
C23H19BrClN3O3
Mass
500.78
Taxonomic Classification
Taxonomy Tree
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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
Nitroaromatic compounds P-bromophenols 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Chlorobenzenes Toluenes Aryl chlorides Hydropyrimidines Aryl bromides Ketimines Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Amines Organobromides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 4-halophenol - Nitroaromatic compound - 4-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Halobenzene - Chlorobenzene - Bromobenzene - Aryl chloride - Aryl bromide - 1,2,5,6-tetrahydropyrimidine - Hydropyrimidine - Aryl halide - Ketimine - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Amine - Organohalogen compound - Organobromide - Imine - 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