Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(OC(=O)C(NC(=O)C3=CC=CS3)=C2)C=C1
InChIKey
InChIKey=GRMVEFCMZGNFGF-UHFFFAOYSA-N
Formula
C14H8N2O5S
Mass
316.29
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 Thiophene carboxamides 2-heteroaryl carboxamides Nitroaromatic compounds Pyranones and derivatives Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - 2-heteroaryl carboxamide - Nitroaromatic compound - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Thiophene - Carboxamide group - Lactone - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - 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