Compound Identification
SMILES
COC1=CC(Br)=CC(NC2=C(C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)=C1
InChIKey
InChIKey=KXSOJXVKATXFQL-UHFFFAOYSA-N
Formula
C13H9BrN4O7
Mass
413.14
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
Aminophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Bromobenzenes Primary aromatic amines Aryl bromides Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminophenyl ether - Nitrobenzene - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Primary aromatic amine - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Ether - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Organic oxygen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Amine - Organooxygen compound - Organic oxide - Organic salt - Hydrocarbon derivative - 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