Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(OC(=O)C(=C2)C2=CSC(=N2)C(=CNC2=C(Cl)C=CC(Cl)=C2)C#N)C=C1
InChIKey
InChIKey=SDZMJHOHKUJYSH-UHFFFAOYSA-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 Nitriles Secondary amines Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organic salts Organopnictogen compounds Organochlorides Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - 1,4-dichlorobenzene - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Organic nitro compound - Lactone - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Enamine - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Secondary amine - Amine - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organic zwitterion - Organohalogen compound - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Cyanide - Organic nitrogen compound - Organic oxide - 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