Compound Identification
SMILES
COC(=O)C1=CN(\N=C\C2=CC=C(C=C2)[N+]([O-])=O)C(=O)C2=CC=CC=C12
InChIKey
InChIKey=WIYSCUYBUZZSCU-VXLYETTFSA-N
Formula
C18H13N3O5
Mass
351.318
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
-
Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolones and derivatives
Alternative Parents
Pyridinecarboxylic acids Nitrobenzenes Nitroaromatic compounds Pyridinones Vinylogous amides Heteroaromatic compounds Methyl esters Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Organic salts Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Nitrobenzene - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Nitroaromatic compound - Pyridinone - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Methyl ester - Vinylogous amide - Organic nitro compound - Carboxylic acid ester - Lactam - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors
Not available