Compound Identification
SMILES
BrC1=CC2=C(OCC3=NN(C(=O)C3=C2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=IBYMNRLTGPZXAP-UHFFFAOYSA-N
Formula
C17H11BrN2O2
Mass
355.191
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 Pyrazolones Benzene and substituted derivatives Aryl bromides Oxacyclic compounds Carboxylic acids and derivatives 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 - Monocyclic benzene moiety - Benzenoid - Pyrazolinone - Pyrazoline - Oxacycle - Carboxylic acid derivative - Ether - Azacycle - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - 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