Compound Identification
SMILES
COC(=O)C1=CC(OCC2CN(CCO2)C(=O)CN2C(=O)COC3=C2C=C(Cl)C=C3)=CN=C1
InChIKey
InChIKey=QKBMMWSCMNVNCE-UHFFFAOYSA-N
Formula
C22H22ClN3O7
Mass
475.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxazines
- Subclass Benzoxazinones
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Class
Benzoxazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazines
Subclass
Benzoxazinones
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazinones
Alternative Parents
Alpha amino acids and derivatives Benzomorpholines Pyridinecarboxylic acids Alkyl aryl ethers Aryl chlorides Benzenoids Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazinone - Alpha-amino acid or derivatives - Benzomorpholine - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Oxazinane - Morpholine - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
External Descriptors
Not available