Structure Information
Structure

Compound Identification

SMILES

COC1=C(COC2=CC=C(C=C2)C(=O)OCC(C)C)C=C(C=NNC(=O)C2=C(Cl)C=C(C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=SMDCDPWEJOZMDM-UHFFFAOYSA-N

Formula

C27H26ClN3O7

Mass

539.97

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic zwitterion - Organochloride - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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