Structure Information
Structure

Compound Identification

SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C1=C(NCCO)C=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=QNDXJMDCLLRQLT-UHFFFAOYSA-N

Formula

C18H19N3O6S

Mass

405.43

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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 - Benzoate ester - Aminobenzoic acid or derivatives - Nitrobenzene - Anilide - Nitroaromatic compound - Thiophenol ether - N-arylamide - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Aryl thioether - Alkylarylthioether - Secondary aliphatic/aromatic amine - Vinylogous amide - Carboxamide group - Carboxylic acid ester - 1,2-aminoalcohol - Amino acid or derivatives - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Alkanolamine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxoazanium - Thioether - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Organic zwitterion - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Hydrocarbon derivative - Organic salt - 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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