Compound Identification
SMILES
COC1=CC=CC(CCN2C(N)=C(C([O-])=O)C3=C(C=C(C=C3)[N+]([O-])=O)C2=O)=C1
InChIKey
InChIKey=IQGLIWMOIDKRRF-UHFFFAOYSA-M
Formula
C19H16N3O6
Mass
382.353
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass 1-phenethylisoquinolines
-
Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
1-phenethylisoquinolines
Intermediate Tree Nodes
Not available
Direct Parent
1-phenethylisoquinolines
Alternative Parents
Isoquinolones and derivatives Pyridinecarboxylic acids Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Pyridinones Alkyl aryl ethers Aminopyridines and derivatives Vinylogous amides Heteroaromatic compounds Amino acids Carboxylic acid salts Lactams Carboxylic acids Azacyclic compounds Organic oxoazanium compounds Organic oxides Primary amines Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenethylisoquinoline - Isoquinolone - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Anisole - Phenol ether - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Alkyl aryl ether - Pyridinone - Aminopyridine - Benzenoid - Monocyclic benzene moiety - Pyridine - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - Amino acid - Amino acid or derivatives - Carboxylic acid salt - Lactam - C-nitro compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organic oxide - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-phenethylisoquinolines. These are organic aromatic compounds containing a quinoline ring system substituted at the 1-position by a phenethyl group.
External Descriptors
Not available