Compound Identification
SMILES
COC1=CC2=C(C=C1)C=C(C(=O)NNC(=O)C1=CC=C(F)C=C1)C(=O)O2
InChIKey
InChIKey=HUBGMADYQXYSGC-UHFFFAOYSA-N
Formula
C18H13FN2O5
Mass
356.309
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 4-halobenzoic acids and derivatives Anisoles Benzoyl derivatives Pyranones and derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Carboxylic acid hydrazides Lactones Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoic acid or derivatives - Anisole - Benzoyl - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyranone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Carboxylic acid hydrazide - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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