Structure Information
Structure

Compound Identification

SMILES

C[S+](C)C(C1C2=[N+]([O-])ON=C2C(C=C1[N+]([O-])=O)=[N+]([O-])[O-])C(=O)C1=CC=CC=C1

InChIKey

InChIKey=GKQDYOUKNGIAIP-UHFFFAOYSA-N

Formula

C16H14N4O7S

Mass

406.37

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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

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alkyl-phenylketone - Benzoxadiazole - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Furoxan - Benzenoid - Heteroaromatic compound - Furazan - Oxadiazole - Azole - Organic nitro compound - C-nitro compound - Nitronic acid - Azacycle - Oxacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic salt - Aldehyde - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic zwitterion - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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