Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC(C)=O)C=C(C=C2N=C(OC2=O)C2=C(Cl)C=CC(=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=XMCUCXVDDYQWOX-UHFFFAOYSA-N

Formula

C19H13ClN2O7

Mass

416.77

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