Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=C(NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+]([O-])=O)C=C1

InChIKey

InChIKey=JJVGVETVENFVSM-UHFFFAOYSA-N

Formula

C20H21N5O5S

Mass

443.48

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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 homomonocyclic compounds

Substituents

Benzoic acid or derivatives - Nitrobenzene - Anilide - Nitroaromatic compound - Benzoyl - M-xylene - Xylene - N-arylamide - Fatty amide - Fatty acyl - Thiosemicarbazide - Carboxamide group - Carboxylic acid hydrazide - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic salt - Organic zwitterion - Aromatic homomonocyclic 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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