Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

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

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