Structure Information
Structure

Compound Identification

SMILES

Cl.COC(=O)C1=C(C=CC=C1S(=O)(=O)N(CCO)CCN(C)C)[N+]([O-])=O

InChIKey

InChIKey=FNHZXACDABXPCP-UHFFFAOYSA-N

Formula

C14H22ClN3O7S

Mass

411.85

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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 - Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Benzoyl - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Alkanolamine - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Amine - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Primary alcohol - Hydrochloride - Organic nitrogen compound - 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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