Compound Identification
SMILES
OC(=O)C(O)=O.[O-][N+](=O)C1=CC=CC(CN2CCN(CC3=CC=C(Br)C=C3)CC2)=C1
InChIKey
InChIKey=IYANEBMJJATVDX-UHFFFAOYSA-N
Formula
C20H22BrN3O6
Mass
480.315
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
Benzylamines Nitroaromatic compounds Phenylmethylamines Aralkylamines Bromobenzenes N-alkylpiperazines Dicarboxylic acids and derivatives Aryl bromides Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organobromides Organic cations
Molecular Framework
Not available
Substituents
Nitrobenzene - Benzylamine - Nitroaromatic compound - Phenylmethylamine - Bromobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl bromide - Aryl halide - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Carboxylic acid - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organohalogen compound - Organobromide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic cation - 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