Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(C(=C(NC3CCCCC3)O2)C2=CC=CC=C2[N+]([O-])=O)C(=O)N(C)C1=O

InChIKey

InChIKey=PWSQYZVOPGBXKY-UHFFFAOYSA-N

Formula

C20H22N4O5

Mass

398.419

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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

Furo[2,3-d]pyrimidine - Nitrobenzene - Nitroaromatic compound - Pyrimidone - Pyrimidine - Furan - Heteroaromatic compound - Vinylogous amide - Lactam - C-nitro compound - Organic nitro compound - Urea - Organic oxoazanium - Oxacycle - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Amine - Organic salt - 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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