Compound Identification
SMILES
COC1=CC(C#N)=C(C=C1)B1OCC(C)(C)CO1
InChIKey
InChIKey=IHXANHFBITTYEJ-UHFFFAOYSA-N
Formula
C13H16BNO3
Mass
245.09
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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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
Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Boronic acid esters Oxacyclic compounds Organic metalloid salts Nitriles Organopnictogen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Alkyl aryl ether - Boronic acid ester - Boronic acid derivative - Ether - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organic metalloid salt - Organic oxygen compound - Organic nitrogen compound - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Cyanide - Hydrocarbon derivative - Aromatic heteromonocyclic 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