Structure Information
Structure

Compound Identification

SMILES

CCCCNC1=C(C#N)C(NC2=CC=C(C=C2)[N+]([O-])=O)=C(S1)C(=O)OCC

InChIKey

InChIKey=ZGXMMZRRWMDTAN-UHFFFAOYSA-N

Formula

C18H20N4O4S

Mass

388.44

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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 - 3,4,5-trisubstituted-2-aminothiophene - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Aniline or substituted anilines - Aminothiophene - Primary aromatic amine - 2-aminothiophene - Thiophene - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Secondary amine - Carbonitrile - Nitrile - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Cyanide - Amine - Organic oxide - Organic cation - 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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