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(Br)C=C1
InChIKey
InChIKey=UELOGLGWWFEVSW-UHFFFAOYSA-N
Formula
C26H18BrF3N4O4
Mass
587.353
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 Bromobenzenes Aminoimidazoles Aryl bromides 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 Organobromides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzimidazole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Bromobenzene - Halobenzene - Pyranone - Aminoimidazole - Aryl bromide - 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 - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Halomethane - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organobromide - Amine - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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