Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C(=O)OC1=C(C=NNC(=O)COC2=CC=C(C=C2)[N+]([O-])=O)C2=CC=CC=C2C=C1

InChIKey

InChIKey=WAPFUCXTCWUZFW-UHFFFAOYSA-N

Formula

C27H21N3O6

Mass

483.48

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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

Nitrophenyl ethers

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Nitrophenyl ether - Benzoate ester - Naphthalene - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Alkyl aryl ether - Toluene - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.

External Descriptors

Not available

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