Structure Information
Structure

Compound Identification

SMILES

CN1NC(=O)C2=C1NC1=C(C2C2=CC(Br)=C(F)C=C2)C(=O)COC1

InChIKey

InChIKey=QVKPHEBTPWDTQG-UHFFFAOYSA-N

Formula

C16H13BrFN3O3

Mass

394.2

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrans

Subclass

Pyranones and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Dihydropyranones

Alternative Parents

Bromobenzenes Fluorobenzenes Pyrazolones Aryl bromides Aryl fluorides Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Ketones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Enamines Organofluorides Organobromides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Bromobenzene - Dihydropyranone - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazolinone - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Ketone - Lactam - Oxacycle - Azacycle - Dialkyl ether - Enamine - Ether - Organobromide - Organonitrogen compound - Organooxygen compound - Organofluoride - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dihydropyranones. These are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond.

External Descriptors

Not available

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