Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C1=CC([NH2+]C(N1)C1=CC=CC=C1[N+]([O-])=O)C1=C(O)C=CC(Br)=C1

InChIKey

InChIKey=URDINQNSTYGWLX-UHFFFAOYSA-O

Formula

C23H21BrN3O3

Mass

467.342

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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

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - 4-halophenol - 4-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Toluene - Phenol - Aryl bromide - Aryl halide - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Quaternary ammonium salt - Organic nitro compound - C-nitro compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Enamine - Organonitrogen compound - Organobromide - Organohalogen compound - Organic salt - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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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