Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(OC)=C1CN1CCCC1.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=NTCAWRCUMDUPRQ-UHFFFAOYSA-N

Formula

C19H22N4O9

Mass

450.404

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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 - Dimethoxybenzene - M-dimethoxybenzene - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzylamine - Phenol ether - Methoxybenzene - Anisole - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - N-alkylpyrrolidine - Pyrrolidine - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic 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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