Compound Identification
SMILES
CC1=C(C(N)=O)C(=O)OC2=CC3=C(C=C12)N=C(NC1=CC=C(OC(F)(F)F)C=C1)N3CC1=CC=C(Cl)C=C1
InChIKey
InChIKey=VTHADGIAUVNNED-UHFFFAOYSA-N
Formula
C26H18ClF3N4O4
Mass
542.9
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 Benzimidazoles Aniline and substituted anilines Phenoxy compounds Phenol ethers Pyranones and derivatives Chlorobenzenes Aminoimidazoles Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Amino acids and derivatives Lactones Primary carboxylic acid amides Trihalomethanes Oxacyclic compounds Azacyclic compounds Secondary amines Organic oxides Hydrocarbon derivatives Alkyl fluorides Organochlorides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzimidazole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Pyranone - Aminoimidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyran - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactone - Trihalomethane - Organoheterocyclic compound - Secondary amine - Azacycle - Carboxylic acid derivative - Oxacycle - Organic oxide - Organonitrogen compound - Alkyl fluoride - Organic nitrogen compound - Organooxygen compound - Alkyl halide - Hydrocarbon derivative - Halomethane - Organofluoride - Organic oxygen compound - Amine - Organochloride - Organohalogen 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