Compound Identification
SMILES
CC1=CC(=CC=C1)N1C(=O)C(=CC2=CC=C(O2)C2=CC(=CC=C2)[N+]([O-])=O)C2=CC=CC=C2C1=O
InChIKey
InChIKey=UNNBBAHTMTZGOV-UHFFFAOYSA-N
Formula
C27H18N2O5
Mass
450.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass 1,3-isoquinolinediones
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
1,3-isoquinolinediones
Intermediate Tree Nodes
Not available
Direct Parent
1,3-isoquinolinediones
Alternative Parents
Isoquinolones and derivatives Tetrahydroisoquinolines Nitrobenzenes Nitroaromatic compounds Toluenes N-substituted carboxylic acid imides Dicarboximides Furans Heteroaromatic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - Nitrobenzene - Nitroaromatic compound - Toluene - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Heteroaromatic compound - Carboxylic acid imide - Dicarboximide - Furan - Organic nitro compound - C-nitro compound - Oxacycle - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-isoquinolinediones. These are isoquinoline derivatives carrying one C=O group at positions 1, and 3 respectively.
External Descriptors
Not available