Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(NCCO)C2=C(OC1=O)C=CC(Cl)=C2

InChIKey

InChIKey=GVERZZCYSVSJRK-UHFFFAOYSA-N

Formula

C13H14ClNO4

Mass

283.71

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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 - Alkyl aryl ether - Pyranone - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous amide - 1,2-aminoalcohol - Lactone - Alkanolamine - Oxacycle - Ether - Organoheterocyclic compound - Secondary amine - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Amine - 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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