Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1(O)CC(C2=CC=C(C=C2)[N+]([O-])=O)=[N+]2CCCCCN12

InChIKey

InChIKey=ZNNOQIHCUDDRAE-UHFFFAOYSA-N

Formula

C21H24N3O4

Mass

382.439

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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 - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - 1,2-diazepane - Alkyl aryl ether - Diazepane - Pyrazoline - C-nitro compound - Organic nitro compound - Alkanolamine - Ether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Organic cation - 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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