Structure Information
Structure

Compound Identification

SMILES

CC1=C(N=NC2=CC=C(C=C2C#N)N(=O)=O)C(NC(NCCO)=C1C#N)=NCCCOCCOC1=CC=CC=C1

InChIKey

InChIKey=DVEIMOJTBVDUFY-UHFFFAOYSA-N

Formula

C27H28N8O5

Mass

544.572

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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 - Phenoxy compound - Nitroaromatic compound - 3-pyridinecarbonitrile - Phenol ether - Benzonitrile - Methylpyridine - Secondary aliphatic/aromatic amine - Dihydropyridine - Aminopyridine - Alkyl aryl ether - Imidolactam - Pyridine - Hydropyridine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azo compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Nitrile - Carbonitrile - Ether - Dialkyl ether - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - 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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