Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OC(=O)CC)C(I)=CC(C=C2N=C(OC2=O)C2=C(Cl)C=C(C=C2)[N+]([O-])=O)=C1

InChIKey

InChIKey=ODUWITFUYRLICV-UHFFFAOYSA-N

Formula

C21H16ClIN2O7

Mass

570.72

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol esters

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenol esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid or derivatives - Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - 4-hydrocarbylideneazlactone - Iodobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Oxazoline - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Ether - Organoiodide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.

External Descriptors

Not available

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