Structure Information
Structure

Compound Identification

SMILES

CC1=C(SC=C1)C=C(C#N)C(=O)NC1=CC2=C(OCCO2)C=C1[N+]([O-])=O

InChIKey

InChIKey=XOTCLTTUTDLGDB-UHFFFAOYSA-N

Formula

C17H13N3O5S

Mass

371.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxanes

Subclass

Benzo-1,4-dioxanes

Intermediate Tree Nodes

Not available

Direct Parent

Benzo-1,4-dioxanes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzo-1,4-dioxane - Nitroaromatic compound - N-arylamide - Alkyl aryl ether - Para-dioxin - Benzenoid - Heteroaromatic compound - Thiophene - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organopnictogen compound - Cyanide - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.

External Descriptors

Not available

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