Compound Identification
SMILES
O\C(=C1\COC(=O)C1=O)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=WAOWGUCHVKEMHQ-KTKRTIGZSA-N
Formula
C12H7NO4
Mass
229.191
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
Gamma butyrolactones Furanones Vinylogous acids Oxolanes Cyclic ketones Carboxylic acid esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Enols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - 3-furanone - Gamma butyrolactone - Oxolane - Vinylogous acid - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Carboxylic acid derivative - Enol - Oxacycle - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Aromatic heteromonocyclic 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