Compound Identification
SMILES
CC1=CC(=O)OC2=C1C=CC(OC1=C(C=C(C=C1)S(=O)(=O)N1CCCCC1)[N+]([O-])=O)=C2
InChIKey
InChIKey=NNQNPHXIHVNWOQ-UHFFFAOYSA-N
Formula
C21H20N2O7S
Mass
444.46
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
Diarylethers Benzenesulfonamides 1-benzopyrans Benzenesulfonyl compounds Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Pyranones and derivatives Piperidines Organosulfonamides Heteroaromatic compounds Sulfonyls Lactones Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diaryl ether - 1-benzopyran - Benzenesulfonamide - Benzopyran - Benzenesulfonyl group - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Pyranone - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Pyran - Piperidine - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Organic sulfonic acid or derivatives - Lactone - C-nitro compound - Organic nitro compound - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - 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