Structure Information
Structure

Compound Identification

SMILES

CCC(C)(O)C(NC)C1=CC=CC=C1.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=XBDUYXRJKTXZGL-UHFFFAOYSA-N

Formula

C18H22N4O8

Mass

422.394

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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 - Phenylpropane - Nitroaromatic compound - Aralkylamine - Monocyclic benzene moiety - Tertiary alcohol - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Secondary aliphatic amine - Organic oxoazanium - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Alcohol - Organic salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic 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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