Compound Identification
SMILES
CC1=C(C)C=C(C=C1)N1C(=O)C(=CNC2=CC(=C(Cl)C=C2)[N+]([O-])=O)C2=CC=CC=C2C1=O
InChIKey
InChIKey=IYAVDGCSOMUITF-UHFFFAOYSA-N
Formula
C24H18ClN3O4
Mass
447.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Isoquinolines and derivatives
- Subclass 1,3-isoquinolinediones
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Class
Isoquinolines and derivatives
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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 o-Xylenes Aniline and substituted anilines Nitroaromatic compounds Chlorobenzenes Secondary alkylarylamines N-substituted carboxylic acid imides Aryl chlorides Vinylogous amides Dicarboximides Amino acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Enamines Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Xylene - O-xylene - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Aryl chloride - Carboxylic acid imide, n-substituted - Benzenoid - Aryl halide - Carboxylic acid imide - Vinylogous amide - Dicarboximide - Organic nitro compound - C-nitro compound - Amino acid or derivatives - Secondary amine - Organic oxoazanium - Enamine - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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