Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N1CCC2(C1)CCN(CC2)C(=O)C1=C(SC)N=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=MBEVFAZDBGNXEX-UHFFFAOYSA-N

Formula

C24H26N4O6S

Mass

498.55

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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 heteropolycyclic compounds

Substituents

Nitrobenzoate - Azaspirodecane - Benzoate ester - Pyridine carboxylic acid or derivatives - Benzamide - Nitrobenzene - N-acyl-piperidine - Aryl thioether - Nitroaromatic compound - Benzoyl - N-acylpyrrolidine - Alkylarylthioether - Piperidine - Vinylogous thioester - Pyridine - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic 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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