Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(NC(=O)CSC2=NN=C(O2)C2=C(Cl)C3=CC=CC=C3S2)C=C1

InChIKey

InChIKey=BQXUDOLCHJOHHQ-UHFFFAOYSA-N

Formula

C18H11ClN4O4S2

Mass

446.88

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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 heteropolycyclic compounds

Substituents

1-benzothiophene - Benzothiophene - Nitrobenzene - Anilide - Aryl thioether - Nitroaromatic compound - N-arylamide - Alkylarylthioether - Aryl chloride - Aryl halide - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Thiophene - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Organic salt - Organochloride - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organic zwitterion - Aromatic heteropolycyclic 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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