Structure Information
Structure

Compound Identification

SMILES

COCCN1C(C)=CC(C=C(C#N)C(=O)OCC2=C3OCOCC3=CC(=C2)[N+]([O-])=O)=C1C

InChIKey

InChIKey=FHEIKRWUSUNTBG-UHFFFAOYSA-N

Formula

C22H23N3O7

Mass

441.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxanes

Subclass

Benzo-1,3-dioxanes

Intermediate Tree Nodes

Not available

Direct Parent

Benzo-1,3-dioxanes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzo-1,3-dioxane - Nitroaromatic compound - Fatty acid ester - Substituted pyrrole - Fatty acyl - Benzenoid - Pyrrole - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzo-1,3-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,3-dioxane ring.

External Descriptors

Not available

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