Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(OC(=O)C(=C2)C2=CSC(=N2)C(=C/NC2=CC(Cl)=CC(Cl)=C2)\C#N)C=C1
InChIKey
InChIKey=WWMVVVCQVOGFGW-XFXZXTDPSA-N
Formula
C21H10Cl2N4O4S
Mass
485.3
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 Aniline and substituted anilines Dichlorobenzenes Nitroaromatic compounds Pyranones and derivatives 2,4-disubstituted thiazoles Aryl chlorides Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Enamines Organic oxoazanium compounds Nitriles Organochlorides Organic salts Hydrocarbon derivatives Organooxygen compounds Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - 1,3-dichlorobenzene - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Pyranone - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl chloride - Pyran - Heteroaromatic compound - Azole - Thiazole - Lactone - C-nitro compound - Organic nitro compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Enamine - Oxacycle - Nitrile - Carbonitrile - Organoheterocyclic compound - Hydrocarbon derivative - Organohalogen compound - Cyanide - Organic oxygen compound - Amine - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Organic salt - 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