Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC(NC(=O)CSC2=NN=C(O2)C2=CC=C(C=C2)[N+]([O-])=O)=C(OCC)C=C1

InChIKey

InChIKey=IODWNJSPGIFGLD-UHFFFAOYSA-N

Formula

C20H20N4O6S

Mass

444.46

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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

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Anilide - Nitrobenzene - N-arylamide - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Phenol ether - Alkylarylthioether - Alkyl aryl ether - Oxadiazole - Azole - 1,3,4-oxadiazole - Heteroaromatic compound - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Carboxylic acid derivative - Ether - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organic salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organopnictogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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