Compound Identification
SMILES
O\N=C(/CCC(O)=O)C1=CC(F)=C(C=C1)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=IVXDQUSAPDLYQF-CAPFRKAQSA-N
Formula
C17H13FN2O3
Mass
312.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Biphenylcarbonitriles
-
Subclass
Biphenyls and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenylcarbonitriles
Alternative Parents
Benzonitriles Fluorobenzenes Aryl fluorides Ketoximes Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Biphenylcarbonitrile - Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Ketoxime - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.
External Descriptors
Not available