Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(\C(C)=N\NC1=NC(=CS1)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)O2
InChIKey
InChIKey=BQQNQTPVSSMDFX-CVKSISIWSA-N
Formula
C24H23N5O4S
Mass
477.54
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 Nitrobenzenes Dialkylarylamines Nitroaromatic compounds Pyranones and derivatives 2,4-disubstituted thiazoles Heteroaromatic compounds Lactones Hydrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactone - C-nitro compound - Organic nitro compound - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrazone - Organic oxoazanium - Oxacycle - Azacycle - Organoheterocyclic compound - Organic zwitterion - Organic salt - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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