Structure Information
Structure

Compound Identification

SMILES

CN(C1=CC=CC=C1)C1=C(Cl)C(=O)OC2=C1C=CC1=C2C=CO1

InChIKey

InChIKey=HUQUXMHGDXCBJE-UHFFFAOYSA-N

Formula

C18H12ClNO3

Mass

325.75

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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

Angular furanocoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Angular furanocoumarin - Alkyldiarylamine - Benzopyran - 1-benzopyran - Benzofuran - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Vinylogous amide - Heteroaromatic compound - Furan - Tertiary amine - Lactone - Oxacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin.

External Descriptors

Not available

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