Compound Identification
SMILES
OC1=C(C=CC=C1NC1=C(NC2=CC=CC=C2)C(=O)C1=O)C#N
InChIKey
InChIKey=NVXPUOGEGKEBSS-UHFFFAOYSA-N
Formula
C17H11N3O3
Mass
305.293
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
o-Aminophenols Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids Primary aromatic amines Vinylogous amides Cyclic ketones Secondary amines Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminophenol - O-aminophenol - Benzonitrile - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Primary aromatic amine - Vinylogous amide - Cyclic ketone - Carbonitrile - Nitrile - Secondary amine - Cyanide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen 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