Structure Information
Structure

Compound Identification

SMILES

CCN(CC)S(=O)(=O)C1=CC(C(=O)OCC(=O)NC2=CC(OC)=C(C=C2C)[N+]([O-])=O)=C(Cl)C=C1

InChIKey

InChIKey=PBXXHMVNPVXCSX-UHFFFAOYSA-N

Formula

C21H24ClN3O8S

Mass

513.95

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrophenyl ethers

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Nitrophenyl ether - 2-halobenzoic acid or derivatives - Benzoate ester - Benzenesulfonamide - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Anilide - Methoxyaniline - Nitrotoluene - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Methoxybenzene - Nitroaromatic compound - N-arylamide - Benzoyl - Anisole - Toluene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Organosulfonic acid amide - Vinylogous halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organonitrogen compound - Organic oxide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organochloride - Organohalogen compound - Organosulfur compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.

External Descriptors

Not available

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