Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC=C(\C=C2\SC3=NCN(CN3C2=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=AXVBBGNKJKUXON-DEDYPNTBSA-N

Formula

C22H23N5O3S

Mass

437.52

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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 heteropolycyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 1,3,5-triazine - Triazine - Azole - Heteroaromatic compound - Thiazole - Isothiourea - Lactam - C-nitro compound - Organic nitro compound - Tertiary amine - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Aromatic heteropolycyclic 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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