Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(OC(=O)C(=C2)C2=CN=C(NNC=C3C=CC=CC3=O)S2)C=C1
InChIKey
InChIKey=ZLJXANHPARDJOB-UHFFFAOYSA-N
Formula
C19H12N4O5S
Mass
408.39
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 Nitroaromatic compounds O-quinomethanes Pyranones and derivatives 2,5-disubstituted thiazoles Benzenoids Vinylogous amides Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives Hydrazines and derivatives Aldehydes Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - O-quinomethane - Quinomethane - 2,5-disubstituted 1,3-thiazole - Pyranone - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Vinylogous amide - Ketone - Lactone - C-nitro compound - Organic nitro compound - Cyclic ketone - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Aldehyde - Organic nitrogen compound - Hydrazine derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic zwitterion - Organooxygen compound - Organic oxygen compound - 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