Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(OC(=O)C(NC(=O)C3=CC=CC=C3NCC3=CC=NC=C3)=C2)C=C1

InChIKey

InChIKey=IKTCQKAFPNQIHM-UHFFFAOYSA-N

Formula

C23H19N3O4

Mass

401.422

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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 - Aminobenzoic acid or derivatives - Anthranilamide - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Alkyl aryl ether - Aralkylamine - Pyranone - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Pyran - Pyridine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Secondary carboxylic acid amide - Lactone - Carboxamide group - Oxacycle - Secondary amine - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - 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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