Compound Identification
SMILES
OC1(CC(C2=CC=C(C=C2)[N+]([O-])=O)=[N+]2CCCCCN12)C1=CC=C(Br)C=C1
InChIKey
InChIKey=NDISJEXNOSHZJI-UHFFFAOYSA-N
Formula
C20H21BrN3O3
Mass
431.309
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
Nitroaromatic compounds Bromobenzenes 1,2-diazepanes Aryl bromides Pyrazolines Organic oxoazanium compounds Azacyclic compounds Alkanolamines Organooxygen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 1,2-diazepane - Bromobenzene - Diazepane - Halobenzene - Aryl bromide - Aryl halide - Pyrazoline - Organic nitro compound - C-nitro compound - Organic oxoazanium - Organoheterocyclic compound - Alkanolamine - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic cation - Aromatic heteropolycyclic 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