Compound Identification
SMILES
COC(=O)C(CC1=CC=C(OCCN2C(=O)OC3=CC=CC=C23)C=C1)C(=O)OC
InChIKey
InChIKey=QQHCAXGQFJNOAS-UHFFFAOYSA-N
Formula
C21H21NO7
Mass
399.399
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxazoles
- Subclass Benzoxazolones
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Class
Benzoxazoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazoles
Subclass
Benzoxazolones
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazolones
Alternative Parents
Phenoxy compounds Phenol ethers Fatty acid esters Alkyl aryl ethers Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Oxazoles Methyl esters Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazolone - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Azole - Heteroaromatic compound - Methyl ester - Oxazole - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
External Descriptors
Not available