Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(=C1)C1=NN2C(S1)=NN=C2C1=C(C=C(NC(=O)CCl)S1)C1=CC=CC=C1

InChIKey

InChIKey=LBPVERPKZZCMIU-UHFFFAOYSA-N

Formula

C21H13ClN6O3S2

Mass

496.94

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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

Nitrobenzene - Nitroaromatic compound - N-arylamide - 2,3,5-trisubstituted thiophene - Azole - Thiadiazole - Thiophene - 1,2,4-triazole - Chloroacetamide - Heteroaromatic compound - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Alkyl halide - Organohalogen compound - Organic nitrogen compound - Alkyl chloride - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - 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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