Compound Identification
SMILES
COC1=CC(\C=C\C(=O)OCC(=O)NC2=C(Cl)C=C(C=N2)C(F)(F)F)=CC(OC)=C1OC
InChIKey
InChIKey=AGMUBRKGSVZADP-SNAWJCMRSA-N
Formula
C20H18ClF3N2O6
Mass
474.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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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 esters Styrenes Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Alkyl aryl ethers Fatty acid esters Pyridines and derivatives Aryl chlorides Imidolactams Heteroaromatic compounds Enoate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - N-arylamide - Alkyl aryl ether - Fatty acid ester - Aryl chloride - Aryl halide - Pyridine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Imidolactam - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteromonocyclic 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