Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(N)=O)C(=O)OC2=CC3=C(C=C12)N=C(NC1=CC=C(OC(F)(F)F)C=C1)N3CC1=CC=C(Br)C=C1

InChIKey

InChIKey=UELOGLGWWFEVSW-UHFFFAOYSA-N

Formula

C26H18BrF3N4O4

Mass

587.353

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Benzopyran - 1-benzopyran - Benzimidazole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Bromobenzene - Halobenzene - Pyranone - Aminoimidazole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyran - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactone - Trihalomethane - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Halomethane - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organobromide - Amine - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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