Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(NC2=NC(NN=CC3=CC=CC=C3[N+]([O-])=O)=NC(=N2)N2CCOCC2)C=C1

InChIKey

InChIKey=BKEKMMJIIDHJEB-UHFFFAOYSA-N

Formula

C21H22N8O4

Mass

450.459

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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 - Methoxyaniline - Phenol ether - Phenoxy compound - 2,4-diamine-s-triazine - Nitroaromatic compound - Dialkylarylamine - Anisole - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Morpholine - Oxazinane - Triazine - 1,3,5-triazine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Hydrazone - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Amine - Organic oxygen compound - Organic zwitterion - Organic oxide - 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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