Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(C(=O)C(C2=NC3=NN=C(NC(=O)NC4=CC=C(Cl)C=C4)N3C2=O)C2=NC3=NN=C(NC(=O)NC4=CC=C(Cl)C=C4)N3C2=O)=C1Cl

InChIKey

InChIKey=DAOCBFUDVXXTII-UHFFFAOYSA-N

Formula

C30H16Cl3N13O7

Mass

776.89

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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 - N-phenylurea - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Organic nitro compound - Urea - Ketimine - Lactam - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Imine - Organic zwitterion - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organochloride - Organic oxide - Organohalogen compound - Organic nitrogen compound - 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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