Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N1CCCCC1)[N+]([O-])=O

InChIKey

InChIKey=YDZVNLACTBFMGG-UHFFFAOYSA-N

Formula

C21H23N3O7S

Mass

461.49

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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 - Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Nitrobenzene - Nitrotoluene - Anilide - Nitroaromatic compound - Benzoyl - N-arylamide - Toluene - Piperidine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic oxide - 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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