Compound Identification
SMILES
CC(C)(C)OC(=O)C(C(N)C(O)=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=KGWVVBSIEVBPIB-UHFFFAOYSA-N
Formula
C14H18N2O6
Mass
310.306
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
Alpha amino acids Nitrobenzenes Nitroaromatic compounds Aralkylamines Fatty acid esters Dicarboxylic acids and derivatives Amino acids Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Aralkylamine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Carboxylic acid ester - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Amino acid - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic homomonocyclic 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