Compound Identification
SMILES
CC1=C(Br)C=C(C(N)=C1CN1CCCC1)[N+]([O-])=O
InChIKey
InChIKey=NICSISZANOWNOR-UHFFFAOYSA-N
Formula
C12H16BrN3O2
Mass
314.183
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
Nitrotoluenes Aminotoluenes Aniline and substituted anilines Benzylamines Nitroaromatic compounds Phenylmethylamines Bromobenzenes Aralkylamines Aryl bromides N-alkylpyrrolidines Trialkylamines Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organobromides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzylamine - Aminotoluene - Aniline or substituted anilines - Phenylmethylamine - Bromobenzene - Halobenzene - Aralkylamine - Toluene - Aryl bromide - Aryl halide - N-alkylpyrrolidine - Pyrrolidine - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organohalogen compound - Amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - 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