Compound Identification
SMILES
COC(=O)[C@H](C)OC1=CC=C(NC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=XVTFHNDUFZUKDJ-JTQLQIEISA-N
Formula
C16H15N3O7
Mass
361.31
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
Dinitroanilines Phenoxyacetic acid derivatives Aminophenyl ethers Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Primary aromatic amines Methyl esters Amino acids and derivatives Organic oxoazanium compounds Monocarboxylic acids and derivatives Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-phenoxypropionic acid ester - Dinitroaniline - Phenoxyacetate - Aminophenyl ether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Primary aromatic amine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Organic zwitterion - Aromatic homomonocyclic 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