Compound Identification
SMILES
FC(F)(F)C1=CC(NC(=O)C(=CC2=C(OCC3=CC=C(Br)C=C3)C=CC3=CC=CC=C23)C#N)=CC=C1
InChIKey
InChIKey=REJPBAPOKBVCRE-UHFFFAOYSA-N
Formula
C28H18BrF3N2O2
Mass
551.363
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 Phenol ethers N-arylamides Alkyl aryl ethers Bromobenzenes Aryl bromides Secondary carboxylic acid amides Nitriles Organobromides Hydrocarbon derivatives Organofluorides Carbonyl compounds Alkyl fluorides Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cinnamic acid amide - Coumaric acid or derivatives - Trifluoromethylbenzene - Naphthalene - Anilide - N-arylamide - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organobromide - Organohalogen compound - Alkyl halide - 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