Compound Identification
SMILES
CCOC(=O)C(C)OC1=C(C=C(C=NN2C(=O)C3C4CC(C=C4)C3C2=O)C=C1Cl)[N+]([O-])=O
InChIKey
InChIKey=MKTRROBCNAFXBP-UHFFFAOYSA-N
Formula
C21H20ClN3O7
Mass
461.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
2-phenoxypropionic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
2-phenoxypropionic acid esters
Alternative Parents
Phenoxyacetic acid derivatives Nitrophenyl ethers Isoindolones Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Pyrrolidine-2-ones Aryl chlorides Dicarboximides Lactams Carboxylic acid esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organochlorides Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenoxypropionic acid ester - Nitrophenyl ether - Phenoxyacetate - Isoindolone - Nitrobenzene - Isoindole or derivatives - Isoindoline - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Dicarboximide - C-nitro compound - Carboxylic acid ester - Lactam - Organic nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-phenoxypropionic acid esters. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid ester.
External Descriptors
Not available