Structure Information
Structure

Compound Identification

SMILES

Br.[Br-].C[N+]12CCN(CC1)CCC2.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=PGKAVJYDQHPGOB-UHFFFAOYSA-M

Formula

C14H21Br2N5O7

Mass

531.158

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

Nitrophenols

Intermediate Tree Nodes

Not available

Direct Parent

Nitrophenols

Alternative Parents

Molecular Framework

Not available

Substituents

Nitrophenol - Nitrobenzene - Nitroaromatic compound - 1,4-diazepane - Diazepane - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Monocyclic benzene moiety - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitro compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrobromide - Amine - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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