Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC=C(NC2=C(C#N)C(N)=C(S2)C(=O)C2=CC(=CC=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=BBMXMYSEICDMIK-UHFFFAOYSA-N

Formula

C21H16N4O5S

Mass

436.44

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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 - Aryl ketones - Phenylketones

Direct Parent

Aryl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aryl-phenylketone - Benzoate ester - Benzoic acid or derivatives - Nitrobenzene - 3,4,5-trisubstituted-2-aminothiophene - Nitroaromatic compound - Benzoyl - Thiophene carboxylic acid or derivatives - Aniline or substituted anilines - N-arylated-2-aminothiophene - Aminothiophene - Monocyclic benzene moiety - Benzenoid - 2-aminothiophene - Vinylogous amide - Thiophene - Heteroaromatic compound - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxoazanium - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Primary amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.

External Descriptors

Not available

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