Structure Information
Structure

Compound Identification

SMILES

CCC(C)CN1C(S\C(=C/C2=CC(=C(C)C=C2)[N+]([O-])=O)C1=O)=NC1=CC=CC=C1

InChIKey

InChIKey=ZKXIBAPBUKLSKR-APOQOXIPSA-N

Formula

C22H23N3O3S

Mass

409.5

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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 - Nitrotoluene - Nitroaromatic compound - Toluene - Thiazolidine - Amino acid or derivatives - Isothiourea - C-nitro compound - Tertiary amine - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic salt - Organic oxygen compound - 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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