Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=O)C(C(=O)O1)=C1CC(SCCN1)C1=C(O)C=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=NFRSVOAVUZOKGP-UHFFFAOYSA-N

Formula

C17H16N2O6S

Mass

376.38

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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 heteromonocyclic compounds

Substituents

Nitrophenol - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Dihydropyranone - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enol ester - Vinylogous amide - C-nitro compound - Organic nitro compound - Lactone - Ketone - Cyclic ketone - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Organic oxoazanium - Secondary amine - Thioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Aldehyde - Organic salt - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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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