Compound Identification
SMILES
OC1=C(NC2=C(NC3=CC=CC=C3Br)C(=O)C2=O)C=CC(=C1)C#N
InChIKey
InChIKey=MMLYUYVMWHQPCZ-UHFFFAOYSA-N
Formula
C17H10BrN3O3
Mass
384.189
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
o-Aminophenols 2-bromoanilines Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Primary aromatic amines Aryl bromides Vinylogous amides Cyclic ketones Secondary amines Nitriles Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminophenol - O-aminophenol - Benzonitrile - 2-bromoaniline - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Primary aromatic amine - Aryl bromide - Vinylogous amide - Cyclic ketone - Secondary amine - Carbonitrile - Nitrile - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Cyanide - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - 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