Compound Identification
SMILES
COC1=C(C=C(C)C=C1)C(=O)N(S)C1=C(C2=C(C=C1)C(C)(C)C(=O)NC2=O)[N+]([O-])=O
InChIKey
InChIKey=YUEDIUOUGQXDSE-UHFFFAOYSA-N
Formula
C20H19N3O6S
Mass
429.45
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 m-Toluamides Benzoic acids and derivatives Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers N-unsubstituted carboxylic acid imides Dicarboximides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - M-toluamide - Toluamide - Benzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Ether - Carboxylic acid derivative - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic salt - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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