Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(C(SC2=C(C(C(O)=O)=C(C(OCC3=CC=CC=C3)=C2)[N+]([O-])=O)[N+]([O-])=O)=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=ZTOYTRRDPIVAQM-UHFFFAOYSA-N

Formula

C21H13N3O11S

Mass

515.41

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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 homomonocyclic compounds

Substituents

Nitrobenzoate - Nitrophenyl ether - Diarylthioether - M-sulfanylbenzoic acid - M-sulfanylbenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Benzoyl - Phenol ether - Thiophenol ether - Alkyl aryl ether - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Thioether - Sulfenyl compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic homomonocyclic 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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