Structure Information
Structure

Compound Identification

SMILES

Oc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.CNC1Cc2c[nH]c3cccc(c23)C11OC(=O)C(C)=C1

InChIKey

InChIKey=GWJHOFUIQSVXEU-UHFFFAOYSA-N

Formula

C22H19N5O9

Mass

497.42

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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 - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Nitrobenzene - Nitroaromatic compound - Aralkylamine - Monocyclic benzene moiety - 2-furanone - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Organic nitro compound - Carboxylic acid ester - Lactone - C-nitro compound - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Secondary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Secondary amine - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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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