Structure Information
Structure

Compound Identification

SMILES

OC1=C(C(=O)Oc2cc(OCCCN3CCN(Cc4ccc(Cl)cc4)CC3)ccc12)[N+]([O-])=O

InChIKey

InChIKey=ONMPZRGRFSUUCZ-UHFFFAOYSA-N

Formula

C23H24ClN3O6

Mass

473.91

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Hydroxycoumarins

Intermediate Tree Nodes

Not available

Direct Parent

4-hydroxycoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-hydroxycoumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Phenol ether - Phenylmethylamine - Benzylamine - Alkyl aryl ether - Pyranone - N-alkylpiperazine - Aralkylamine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Piperazine - Pyran - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Heteroaromatic compound - Vinylogous acid - Organic nitro compound - C-nitro compound - Tertiary amine - Lactone - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic salt - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton.

External Descriptors

Not available

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