Compound Identification
SMILES
COC1=C(C#N)C(=O)NC(CO1)C1=CC=CC=C1
InChIKey
InChIKey=KBARIFFCLDFUCU-UHFFFAOYSA-N
Formula
C13H12N2O3
Mass
244.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Oxazepines
- Subclass 1,4-oxazepines
-
Class
Oxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxazepines
Subclass
1,4-oxazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-oxazepines
Alternative Parents
Benzene and substituted derivatives Vinylogous esters Secondary carboxylic acid amides Lactams Ketene acetals Oxacyclic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Para-oxazepine - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Carboxamide group - Ketene acetal or derivatives - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Cyanide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-oxazepines. These are organic compounds containing an aromatic seven-membered wring containing a nitrogen and an oxygen atom, a positions 1 and 4, respectively.
External Descriptors
Not available