Compound Identification
SMILES
CC(C)(C)OC(=O)[C@@H](C([O-])=O)C1=CC=C(N)C=C1
InChIKey
InChIKey=DBJSSLLPAQXMFN-SNVBAGLBSA-M
Formula
C13H16NO4
Mass
250.275
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Aniline and substituted anilines
Alternative Parents
Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid salts Carboxylic acid esters Amino acids Carboxylic acids Primary amines Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aniline or substituted anilines - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
External Descriptors
Not available