Compound Identification
SMILES
COC1=CC=CC2=C1C[C@@H](C#N)C1=C2C=C(Br)C=C1
InChIKey
InChIKey=AXOWSLSZFOFZEN-JTQLQIEISA-N
Formula
C16H12BrNO
Mass
314.182
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Hydrophenanthrenes
-
Class
Phenanthrenes and derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Hydrophenanthrenes
Intermediate Tree Nodes
Not available
Direct Parent
Hydrophenanthrenes
Alternative Parents
Naphthalenes Anisoles Alkyl aryl ethers Aryl bromides Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Hydrophenanthrene - Naphthalene - Anisole - Alkyl aryl ether - Aryl bromide - Aryl halide - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organobromide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydrophenanthrenes. These are a phenanthrene derivative where at least one ring CC bond is substituted by hydrogenation.
External Descriptors
Not available