Compound Identification
SMILES
ClC1=CC=CC=C1NC(=O)C(=CC1=C(OCC2=CC=C(Br)C=C2)C=CC2=CC=CC=C12)C#N
InChIKey
InChIKey=ODZUDZKNXGLRCG-UHFFFAOYSA-N
Formula
C27H18BrClN2O2
Mass
517.81
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 Naphthalenes Anilides Phenol ethers N-arylamides Alkyl aryl ethers Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Secondary carboxylic acid amides Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cinnamic acid amide - Coumaric acid or derivatives - Naphthalene - Anilide - N-arylamide - Phenol ether - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Carbonitrile - Nitrile - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen 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