Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1CCN2CCC[C@H]12.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=RJNCWURFJNHQGX-ZJLYAJKPSA-N

Formula

C13H16N4O8

Mass

356.291

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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 - Pyrrolizidine - Monocyclic benzene moiety - N-alkylpyrrolidine - Pyrrolidine - 1,2-aminoalcohol - C-nitro compound - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - 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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