Compound Identification
SMILES
OC(=O)\C=C\C([O-])=O.CC(C)[NH2+]C1CCCOC2=C1C=C(C)C=C2
InChIKey
InChIKey=TXFCQMYQVCRONG-WLHGVMLRSA-N
Formula
C18H25NO5
Mass
335.4
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
Aralkylamines Alkyl aryl ethers Unsaturated fatty acids Dicarboxylic acids and derivatives Benzenoids Carboxylic acid salts Oxacyclic compounds Dialkylamines Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Benzoxepine - Alkyl aryl ether - Aralkylamine - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Benzenoid - Fatty acyl - Fatty acid - Carboxylic acid salt - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Amine - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - 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