Compound Identification
SMILES
[Na+].C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C([O-])=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=QYXWUBZDXRNTNX-HHAFIFMESA-M
Formula
C15H13FNNaO4
Mass
313.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acids
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids
Alternative Parents
Phenylpyrrolines Carbapenems Alpha amino acids and derivatives Pyrroline carboxylic acids Azepines Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Pyrroles Secondary alcohols Azetidines Carboxylic acid salts Azacyclic compounds Organic metal halides Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organic sodium salts Organofluorides Organonitrogen compounds Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid - 3-phenylpyrroline - Carbapenem - Alpha-amino acid or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - Aryl halide - Beta-lactam - Tertiary carboxylic acid amide - Pyrrole - Pyrroline - Lactam - Carboxylic acid salt - Carboxamide group - Azetidine - Secondary alcohol - Organic metal halide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available