Compound Identification
SMILES
COC1=C(C=C(C=C1)[C@@H]1SCCN1C(=O)C1=CC2=CC=CC=C2OC1=O)[N+]([O-])=O
InChIKey
InChIKey=YNLBDXBHNVKRFK-IBGZPJMESA-N
Formula
C20H16N2O6S
Mass
412.42
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
Nitrophenyl ethers 1-benzopyrans Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Pyranones and derivatives Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Lactones Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Azacyclic compounds Organic oxoazanium compounds Organic salts Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Nitrophenyl ether - Benzopyran - 1-benzopyran - Nitrobenzene - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazolidine - Organic nitro compound - Carboxamide group - Lactone - C-nitro compound - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Dialkylthioether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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