Compound Identification
SMILES
OC(=O)C1C2=C(COC3=C1C=C(Br)C=C3)N=CC=C2
InChIKey
InChIKey=PTQNRSVVJZVMFT-UHFFFAOYSA-N
Formula
C14H10BrNO3
Mass
320.142
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
Alkyl aryl ethers Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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