Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O.NCCCCCCNC1=NC=NC2=C1NC=N2

InChIKey

InChIKey=WBNQKUPMNCFCHP-UHFFFAOYSA-N

Formula

C18H24N8O5

Mass

432.441

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

Nitrophenols

Intermediate Tree Nodes

Not available

Direct Parent

Dinitrophenols

Alternative Parents

Dinitrotoluenes 6-alkylaminopurines Nitrobenzenes Ortho cresols Nitroaromatic compounds Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Imidazoles Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monoalkylamines Organic salts Organooxygen compounds Hydrocarbon derivatives Organic zwitterions Organic oxides

Molecular Framework

Not available

Substituents

Dinitrotoluene - Dinitrophenol - 6-alkylaminopurine - 6-aminopurine - Imidazopyrimidine - Nitrobenzene - Purine - Nitrotoluene - O-cresol - Nitroaromatic compound - Aminopyrimidine - Toluene - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxide - Amine - Primary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Hydrocarbon derivative - Organic zwitterion - Organic salt - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dinitrophenols. These are organic aromatic compounds containing a benzene that carries a single phenol group and exactly two nitro groups.

External Descriptors

Not available

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