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Structure Information
Structure

Compound Identification

SMILES

CC1=CC=[N+](C=C1)[C@H]1[C@H]([C@H](C#N)C([S-])=N[C@]1(O)C1CC1)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=RMSLSPSLQQWXAS-IWFBPKFRSA-N

Formula

C21H20N4O3S

Mass

408.48

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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 - Methylpyridine - Tetrahydropyridine - Hydropyridine - Pyridine - Pyridinium - Heteroaromatic compound - Cyclic imidothioic acid - C-nitro compound - Organic nitro compound - Alkanolamine - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Cyanide - Organic salt - Organonitrogen compound - 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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