Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)N=C2SC(=CC3=CC=C(O3)C3=CC=C(C=C3)[N+]([O-])=O)C(=O)N2C1C1=CC=C(Cl)C=C1

InChIKey

InChIKey=ZPEKNSKCMJPMMY-UHFFFAOYSA-N

Formula

C27H20ClN3O6S

Mass

549.98

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