Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(N[C@H](NC(=O)C2=CC=C(Cl)C=C2)C(Cl)(Cl)Cl)C=C1)[N+]([O-])=O

InChIKey

InChIKey=XEFMJFJTBDGMJD-OAHLLOKOSA-N

Formula

C16H13Cl4N3O4

Mass

453.1

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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 homomonocyclic compounds

Substituents

Nitrophenyl ether - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Methoxyaniline - Benzamide - Phenoxy compound - Phenol ether - Benzoyl - Nitroaromatic compound - Phenylalkylamine - Methoxybenzene - Anisole - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organooxygen compound - Organic zwitterion - Alkyl chloride - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Alkyl halide - Organohalogen compound - Organic oxide - Organochloride - Aromatic homomonocyclic 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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