Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OCC2=CC=C(O2)C(O)=O)C=CC(C=C2SC(=O)N(CC3=CC(=CC=C3)[N+]([O-])=O)C2=O)=C1

InChIKey

InChIKey=DJPFYMWLEFEKEF-UHFFFAOYSA-N

Formula

C25H20N2O9S

Mass

524.5

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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

Nitrobenzene - Furoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Furoic acid - Phenol ether - Alkyl aryl ether - Thiazolidinedione - Dicarboximide - Furan - Heteroaromatic compound - Thiazolidine - C-nitro compound - Organic nitro compound - Thiocarbamic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Ether - Organic oxoazanium - Oxacycle - Organic salt - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic cation - 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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