Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)C(C2=CC(=CC=C2)C(F)(F)F)C2=C(O1)C1=C(C=CN1)C=C2

InChIKey

InChIKey=NLICBEMALSSOCA-UHFFFAOYSA-N

Formula

C19H12F3N3O

Mass

355.32

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Neoflavonoid skeleton - Benzopyran - Trifluoromethylbenzene - 1-benzopyran - Indole - Indole or derivatives - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Ketene acetal or derivatives - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone.

External Descriptors

Not available

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