Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC=C1CN1C(=O)SC(=CC2=CC=C(O2)C2=C(C=C(Cl)C=C2)[N+]([O-])=O)C1=O

InChIKey

InChIKey=USBPPFFBLYXOEG-UHFFFAOYSA-N

Formula

C21H12ClN3O7S

Mass

485.85

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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 - Nitroaromatic compound - Chlorobenzene - Halobenzene - Thiazolidinedione - Aryl chloride - Aryl halide - Dicarboximide - Furan - Heteroaromatic compound - Thiazolidine - Thiocarbamic acid derivative - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Carbonyl group - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organic salt - 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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