Compound Identification
SMILES
OC(=O)C1=CC=C(COC2=C(I)C=C(C=C(C#N)C(=O)N3CCOCC3)C=C2)C=C1
InChIKey
InChIKey=TYRIMSHIYDGUGF-UHFFFAOYSA-N
Formula
C22H19IN2O5
Mass
518.307
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Iodobenzenes Aryl iodides Morpholines Tertiary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Oxazinane - Morpholine - Tertiary carboxylic acid amide - Carboxamide group - Nitrile - Carbonitrile - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organoiodide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available