Compound Identification
SMILES
COC(CN(C)CC1=C(N)C(=CC(Br)=C1C)[N+]([O-])=O)OC
InChIKey
InChIKey=YDJHGRLIQZSHCB-UHFFFAOYSA-N
Formula
C13H20BrN3O4
Mass
362.224
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 Phenylmethylamines Aminotoluenes Aniline and substituted anilines Nitroaromatic compounds Benzylamines Aralkylamines Bromobenzenes Primary aromatic amines Aryl bromides Trialkylamines Propargyl-type 1,3-dipolar organic compounds Acetals Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Aminotoluene - Nitroaromatic compound - Aralkylamine - Bromobenzene - Halobenzene - Toluene - Aryl halide - Aryl bromide - Primary aromatic amine - Organic nitro compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Acetal - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic salt - Organic oxygen compound - Organooxygen compound - Amine - Primary amine - Organic zwitterion - Aromatic homomonocyclic 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