Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H](C)NC1=C(NC2=CC=C(C=C2)C#N)C(=O)C1=O
InChIKey
InChIKey=ZNOHIBPADYKCKL-GFCCVEGCSA-N
Formula
C20H17N3O3
Mass
347.374
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 Aniline and substituted anilines Secondary alkylarylamines Aralkylamines Alkyl aryl ethers Primary aromatic amines Vinylogous amides Cyclic ketones Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Anisole - Phenoxy compound - Benzonitrile - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aralkylamine - Primary aromatic amine - Vinylogous amide - Cyclic ketone - Secondary amine - Nitrile - Carbonitrile - Ether - Amine - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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