Compound Identification
SMILES
CCONC(=COC1=CC=C(CC(OCC)C(O)=O)C=C1)C1=CC(=NO1)C1=CC=CC=C1
InChIKey
InChIKey=XIBJRSMOZJADOF-UHFFFAOYSA-N
Formula
C24H26N2O6
Mass
438.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Phenoxy compounds Isoxazoles Heteroaromatic compounds Oxacyclic compounds N-organohydroxylamines Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Phenoxy compound - Monocyclic benzene moiety - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Azacycle - N-organohydroxylamine - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Monocarboxylic acid or derivatives - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available