Structure Information
Structure

Compound Identification

SMILES

CN(C1=CC=CC=C1)C1=C(Cl)C(=O)OC2=C1CCC1=C2C=CO1

InChIKey

InChIKey=PEXIVNHABFJQOO-UHFFFAOYSA-N

Formula

C18H14ClNO3

Mass

327.76

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Furanocoumarins

Intermediate Tree Nodes

Not available

Direct Parent

Furanocoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Furanocoumarin - Alkyldiarylamine - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Furan - Heteroaromatic compound - Vinylogous amide - Lactone - Tertiary amine - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as furanocoumarins. These are polycyclic aromatic compounds containing a furan ring fused to a coumarin moiety.

External Descriptors

Not available

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