Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC(=N1)C1=C(N=C(N1)C1CCN(CC1)S(=O)(=O)CC1=CC=CC=C1[N+]([O-])=O)C1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=GRYJBXNBDAWYNI-UHFFFAOYSA-N

Formula

C28H27N5O6S

Mass

561.61

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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

Nitrobenzene - Benzodioxole - 2,4,5-trisubstituted-imidazole - Nitroaromatic compound - Trisubstituted imidazole - Methylpyridine - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid amide - Organosulfonic acid amide - Pyridine - Piperidine - Azole - Sulfonyl - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Imidazole - C-nitro compound - Organic nitro compound - Acetal - Oxacycle - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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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