Compound Identification
SMILES
CC1C2(OC(=N)C1(C#N)C(C#N)(C#N)C(O2)C1=CC=C(C=C1)C#N)C1=CC=C(C)C=C1
InChIKey
InChIKey=WLTRODMLPSZWJP-UHFFFAOYSA-N
Formula
C24H17N5O2
Mass
407.433
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
Toluenes Ketals 1,3-dioxepanes Oxanes Oxolanes Imidoesters Oxacyclic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzonitrile - 1,3-dioxepane - Dioxepane - Ketal - Toluene - Oxane - Oxolane - Imido ester - Oxacycle - Nitrile - Carbonitrile - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Cyanide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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