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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinoline quinones
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinoline quinones
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinoline quinones
Alternative Parents
Alpha amino acids and derivatives Nitrobenzenes Aryl alkyl ketones Nitroaromatic compounds Pyridines and derivatives Enoate esters Heteroaromatic compounds Ketimines Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organic oxides
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