Structure Information
Structure

Compound Identification

SMILES

CCN1C(=O)NC(C(C(=O)C2=CC=CS2)C1(O)C(F)(F)F)C1=CC=CC=C1[N+]([O-])=O

InChIKey

InChIKey=OGZZUZJQCUFIAQ-UHFFFAOYSA-N

Formula

C18H16F3N3O5S

Mass

443.4

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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 - Nitroaromatic compound - Aryl alkyl ketone - Aryl ketone - B'-hydroxy-alpha,beta-unsaturated-ketone - Pyrimidone - Alpha-branched alpha,beta-unsaturated-ketone - Pyrimidine - 1,3-diazinane - Beta-hydroxy ketone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Thiophene - Enone - Acryloyl-group - Organic nitro compound - Thioenolether - Carbonic acid derivative - C-nitro compound - Ketone - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic hyponitrite - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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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