Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(NN=C(SC2=NN=C(COC3=C(Cl)C=C(Cl)C=C3)O2)C(=O)C2=CC=CC=C2)C=C1

InChIKey

InChIKey=AJOYJSLDROYVFY-UHFFFAOYSA-N

Formula

C23H15Cl2N5O5S

Mass

544.36

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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 - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Phenylhydrazine - Aryl ketone - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Sulfenyl compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Oxacycle - Hydrazone - Organic oxoazanium - Azacycle - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organic zwitterion - 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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