Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(OC(=O)C(=C2NC2=CC=C(Cl)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=YAIUPLQJDUNGAM-UHFFFAOYSA-N
Formula
C15H8ClN3O6
Mass
361.69
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 Aniline and substituted anilines Nitroaromatic compounds Pyranones and derivatives Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactones Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Organooxygen compounds Organic salts Organic oxides Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Pyran - Monocyclic benzene moiety - Aryl halide - Benzenoid - Vinylogous amide - Heteroaromatic compound - C-nitro compound - Lactone - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic salt - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Organopnictogen compound - Organic nitrogen compound - Organic oxygen 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