Compound Identification
SMILES
[Na+].[O-]C1=C(Br)C=C(C=C1I)C#N
InChIKey
InChIKey=FNZRXMVEPAKCQF-UHFFFAOYSA-M
Formula
C7H2BrINNaO
Mass
345.897
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Phenoxides Iodobenzenes Bromobenzenes Aryl iodides Aryl bromides Organic metal halides Nitriles Organopnictogen compounds Organooxygen compounds Organoiodides Organobromides Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - Bromobenzene - Halobenzene - Iodobenzene - Phenoxide - Aryl bromide - Aryl halide - Aryl iodide - Organic metal halide - Organic alkali metal salt - Carbonitrile - Nitrile - Organoiodide - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic sodium salt - Organic salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available