Compound Identification
SMILES
COC1=C(\C=C(\C#N)C(=O)NC2=CC=CC=C2C(F)(F)F)C2=CC=CC=C2C=C1
InChIKey
InChIKey=PLOMBGPCMDGGNI-QINSGFPZSA-N
Formula
C22H15F3N2O2
Mass
396.369
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid amides Trifluoromethylbenzenes Naphthalenes Anilides N-arylamides Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Nitriles Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cinnamic acid amide - Coumaric acid or derivatives - Trifluoromethylbenzene - Naphthalene - Anilide - Anisole - N-arylamide - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organooxygen compound - Alkyl fluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organic nitrogen compound - Carbonyl group - Cyanide - Organic oxygen compound - Alkyl halide - Organonitrogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available