Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)N(CCCCCC(O)=O)C(=O)NC1C1=CC2=C(OCO2)C=C1[N+]([O-])=O

InChIKey

InChIKey=OQELBTGRCBSEBC-UHFFFAOYSA-N

Formula

C21H25N3O9

Mass

463.443

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzodioxoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzodioxole - Nitro fatty acid - Nitroaromatic compound - Medium-chain fatty acid - Heterocyclic fatty acid - Pyrimidone - Dicarboxylic acid or derivatives - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Benzenoid - Fatty acyl - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Urea - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid - Acetal - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.

External Descriptors

Not available

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