Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=HHKWQLFQVBGSBI-UHFFFAOYSA-N

Formula

C16H13N5O9

Mass

419.306

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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 - Monocyclic benzene moiety - Pyridine - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxoazanium - Organic salt - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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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