Compound Identification
SMILES
CC1=C(C)C(NC=C(C#N)C2=NC(=CS2)C2=CC3=C(OC2=O)C=CC(=C3)[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=LQLMVGYDBPZXKK-UHFFFAOYSA-N
Formula
C23H16N4O4S
Mass
444.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans o-Xylenes Aniline and substituted anilines Nitroaromatic compounds Pyranones and derivatives 2,4-disubstituted thiazoles Heteroaromatic compounds Lactones Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Enamines Nitriles Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - Aniline or substituted anilines - Xylene - O-xylene - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Pyranone - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Lactone - C-nitro compound - Organic nitro compound - Enamine - Carbonitrile - Nitrile - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available