Compound Identification
SMILES
[Na+].CC1=CC2=C(C=C1C)N(C\C=C1/C3=CC=CC=C3COC3=C1C=C(C=C3)C([O-])=O)C=N2
InChIKey
InChIKey=KWELWDMCBFWKQN-CSFJJMQLSA-M
Formula
C26H21N2NaO3
Mass
432.455
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxepines
- Subclass Dibenzoxepines
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Class
Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Dibenzoxepines
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzoxepines
Alternative Parents
Benzimidazoles Alkyl aryl ethers N-substituted imidazoles Benzenoids Heteroaromatic compounds Carboxylic acid salts Oxacyclic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzoxepine - Benzimidazole - Alkyl aryl ether - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic sodium salt - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.
External Descriptors
Not available