Compound Identification
SMILES
COC1=CC=C(C=C1)[C@H]1[C@H](C(N)=O)C1(C#N)C#N
InChIKey
InChIKey=ULDLGWLCWYEEFD-WDEREUQCSA-N
Formula
C13H11N3O2
Mass
241.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenol ethers
- Subclass Anisoles
-
Class
Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Cyclopropanecarboxylic acids and derivatives Primary carboxylic acid amides Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors
Not available