Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)[C@H]1COC(=N1)C1=CC=CC=C1NC=C1C=C(C=CC1=O)[N+]([O-])=O

InChIKey

InChIKey=MWRAIJOFMRETDE-GOSISDBHSA-N

Formula

C20H21N3O4

Mass

367.405

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinomethanes

Direct Parent

O-quinomethanes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

O-quinomethane - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Oxazoline - Vinylogous amide - C-nitro compound - Organic nitro compound - Enamine - Allylamine - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organic zwitterion - Amine - Organic oxide - Organic nitrogen compound - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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