Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC2C(C(=O)C3=C(N=CC=C3)C2=O)C(=N1)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=OPUCKZXLLQAVDR-UHFFFAOYSA-N

Formula

C21H15N3O6

Mass

405.366

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

Isoquinoline quinones

Intermediate Tree Nodes

Not available

Direct Parent

Isoquinoline quinones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoquinoline quinone - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketimine - Ketone - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Organic salt - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Imine - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoquinoline quinones. These are isoquinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton.

External Descriptors

Not available

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