Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)N(C(=S)N[C@H]1C1=CC(=C(O)C=C1)[N+]([O-])=O)C1=CC=CC(C)=C1

InChIKey

InChIKey=VFXAVFJLLAWOFQ-SFHVURJKSA-N

Formula

C20H19N3O5S

Mass

413.45

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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 - N-phenylthiourea - Nitrobenzene - Hydropyrimidine carboxylic acid derivative - Nitroaromatic compound - Thiopyrimidine - 2-thiopyrimidine - Pyrimidinethione - Toluene - 1-hydroxy-2-unsubstituted benzenoid - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Monocyclic benzene moiety - Pyrimidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Vinylogous amide - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Thiourea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - 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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