Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1CCN(CC1)C1=C(C(NCC2=CC3=C(OCO3)C=C2)=NC=N1)[N+]([O-])=O

InChIKey

InChIKey=KLLWWSNLDYSKIH-UHFFFAOYSA-N

Formula

C20H23N5O6

Mass

429.433

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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 - Piperidinecarboxylic acid - Nitroaromatic compound - Dialkylarylamine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Piperidine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - 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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