Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)C(C#N)=C(NC(=O)C2=C(C=CC(=C2)[N+]([O-])=O)N2CCOCC2)S1

InChIKey

InChIKey=KQTUTKXKYGIRSU-UHFFFAOYSA-N

Formula

C20H20N4O6S

Mass

444.46

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Oxazinanes

Subclass

Morpholines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylmorpholines

Alternative Parents

Aminobenzoic acids and derivatives Anthranilamides Nitrobenzenes Thiophene carboxylic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Dialkylarylamines Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Dialkyl ethers Organic oxides Organic zwitterions Organic salts Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenylmorpholine - Aminobenzoic acid or derivatives - Anthranilamide - Benzamide - Nitrobenzene - Benzoic acid or derivatives - Thiophene carboxylic acid or derivatives - Dialkylarylamine - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Oxacycle - Organic oxoazanium - Azacycle - Organic salt - Organic oxide - Cyanide - Hydrocarbon derivative - Amine - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.

External Descriptors

Not available

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