Structure Information
Structure

Compound Identification

SMILES

CCCC1=C(C(N2C(=O)\C(SC2=N1)=C/C1=CC=C(O1)C1=CC(Cl)=C(C=C1Cl)[N+]([O-])=O)C1=CC=CS1)C(=O)OCC

InChIKey

InChIKey=IXTXVTAKJMGWDR-SSDVNMTOSA-N

Formula

C27H21Cl2N3O6S2

Mass

618.5

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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 - 1,4-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Thiazole - Thiophene - Azole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Furan - Isothiourea - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Lactam - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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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