Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(=C1)C1=CC=C(O1)C(=O)N=C=S

InChIKey

InChIKey=FEJVFPNOFYNJDB-UHFFFAOYSA-N

Formula

C12H6N2O4S

Mass

274.25

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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 - Nitroaromatic compound - Furan - Isothiocyanate acid - Heteroaromatic compound - Organic nitro compound - Isothiocyanate - C-nitro compound - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - 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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