Compound Identification
SMILES
CN1CCOC(=O)C(C#N)=C1C1=CC=CC=C1
InChIKey
InChIKey=XCNBDQDPHFMBCV-UHFFFAOYSA-N
Formula
C13H12N2O2
Mass
228.251
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Oxazepines
- Subclass 1,4-oxazepines
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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 amides Enoate esters Trialkylamines Lactones Amino acids and derivatives Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Para-oxazepine - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Azacycle - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - 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