Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C(OC(=O)C2=CC(=C(C)C=C2)[N+]([O-])=O)=C1SC1=CC=C(C)C=C1)C(C)(C)C

InChIKey

InChIKey=XSWDCFHVHFLJSY-UHFFFAOYSA-N

Formula

C23H25N3O4S

Mass

439.53

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzoate - Diarylthioether - Benzoate ester - Nitrobenzene - Nitrotoluene - Benzoyl - Aryl thioether - Thiophenol ether - Nitroaromatic compound - Toluene - Azole - Pyrazole - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Thioether - Organic oxoazanium - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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