Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.CN1C[C@@H]2[C@@H](C1)C1=C(OC3=CC=CC=C23)C=CC(Cl)=C1
InChIKey
InChIKey=GMDCDXMAFMEDAG-TXUHOWFZSA-N
Formula
C21H20ClNO5
Mass
401.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxepines
- Subclass Dibenzoxepines
-
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
Diarylethers Aralkylamines Unsaturated fatty acids Aryl chlorides N-alkylpyrrolidines Benzenoids Dicarboxylic acids and derivatives Trialkylamines Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Not available
Substituents
Dibenzoxepine - Diaryl ether - Aralkylamine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Unsaturated fatty acid - N-alkylpyrrolidine - Benzenoid - Fatty acid - Fatty acyl - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Carboxylic acid - Carboxylic acid derivative - Ether - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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
CHEBI:71246 : maleate salt