Structure Information
Structure

Compound Identification

SMILES

CCCC(=O)OC1=C(OCC)C=C(C=C2N=C(OC2=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=AQXBYPGCGXRYPM-UHFFFAOYSA-N

Formula

C22H19ClN2O7

Mass

458.85

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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 - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Oxazoline - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxoazanium - Ether - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic cation - 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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