Structure Information
Structure

Compound Identification

SMILES

CN(C)CCCS\C(\N=C\OOC(=O)C1=CC=C(C=C1)[N+]([O-])=O)=N\C(=O)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=GIKYIDYDLNIQGR-LGLHSBMDSA-N

Formula

C22H21N5O10S

Mass

547.5

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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 - Benzyloxycarbonyl - Peroxybenzoate - Nitrobenzene - Nitroaromatic compound - Benzoyl - Peroxycarboxylic acid or derivatives - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Imine - Amine - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Carbonyl group - 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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