Structure Information
Structure

Compound Identification

SMILES

COC1=C2OC(=O)C(\C=N\NC3=C(C=C(C=C3)[N+]([O-])=O)[N+]([O-])=O)=C(Cl)C2=C(OC)C2=C1OC=C2

InChIKey

InChIKey=OEPHLEBZTDGJIW-GZIVZEMBSA-N

Formula

C20H13ClN4O9

Mass

488.79

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Furanocoumarins

Intermediate Tree Nodes

Linear furanocoumarins - Psoralens

Direct Parent

8-methoxypsoralens

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-methoxypsoralen - 8-methoxypsoralen - 1-benzopyran - Benzopyran - Nitrobenzene - Benzofuran - Nitroaromatic compound - Anisole - Phenol ether - Phenylhydrazine - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous halide - Furan - Lactone - Organic nitro compound - C-nitro compound - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Hydrazone - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic salt - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 8-methoxypsoralens. These are psoralens containing a methoxy group attached at the C8 position of the psoralen group.

External Descriptors

Not available

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