Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC=C1C(=O)NC1=NC(=CS1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=RMEQLDPTFGEVPR-UHFFFAOYSA-N
Formula
C19H11N3O5S
Mass
393.37
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 Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Pyranones and derivatives 2,4-disubstituted thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - 2,4-disubstituted 1,3-thiazole - Pyranone - Pyran - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiazole - Azole - C-nitro compound - Secondary carboxylic acid amide - Lactone - Organic nitro compound - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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