Structure Information
Structure

Compound Identification

SMILES

CCN1C(=O)C(N=NC2=CC=CC=C2[N+]([O-])=O)=C(C)C(CN2CCCCC2)=C1OC(C)=O

InChIKey

InChIKey=HTPAHTKFHIIJTA-UHFFFAOYSA-N

Formula

C22H27N5O5

Mass

441.488

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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 - Nitroaromatic compound - Methylpyridine - Aralkylamine - Pyridinone - Dihydropyridine - Pyridine - Piperidine - Hydropyridine - Heteroaromatic compound - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - C-nitro compound - Lactam - Carboxylic acid ester - Azo compound - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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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