Compound Identification
SMILES
[Na+].[O-]C(=O)C12CC1C1=CC(Cl)=C(CC3=CC=CC=C3)C=C1O[C@H]2C(F)(F)F
InChIKey
InChIKey=ORSKYNOKSANJRG-RLOLYXROSA-M
Formula
C19H13ClF3NaO3
Mass
404.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
1-benzopyrans Alkyl aryl ethers Aryl chlorides Benzene and substituted derivatives Cyclopropanecarboxylic acids Carboxylic acid salts Oxacyclic compounds Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic sodium salts Alkyl fluorides Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Carboxylic acid salt - Organic alkali metal salt - Oxacycle - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Organic sodium salt - Alkyl halide - Organohalogen compound - Organochloride - Organofluoride - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available