Structure Information
Structure

Compound Identification

SMILES

OC1=C(C=C(CC(=O)NC2=CC3=C(C=C2)N=C(SCC2=CN=CC=C2)S3)C=C1)[N+]([O-])=O

InChIKey

InChIKey=BISYAZXTZNFXNZ-UHFFFAOYSA-N

Formula

C21H16N4O4S2

Mass

452.5

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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

Aromatic heteropolycyclic compounds

Substituents

Nitrophenol - Phenylacetamide - 1,3-benzothiazole - Nitrobenzene - Aryl thioether - N-arylamide - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Organosulfur compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - 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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