Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)N=C1SC=C(N1N=CC1=CC2=C(OCO2)C=C1[N+]([O-])=O)C1=CC2=CC=CC=C2O1

InChIKey

InChIKey=SGUREXBDXXKRPZ-UHFFFAOYSA-N

Formula

C26H18N4O5S

Mass

498.51

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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 - Benzofuran - Nitroaromatic compound - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Furan - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Acetal - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - 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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