Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=YUIZUAVGNNIZDO-UHFFFAOYSA-N

Formula

C28H22FN3O6S

Mass

547.56

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