Compound Identification
SMILES
CCOC(=O)C(CC1=CC(Cl)=CC=C1)(N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[N+]([O-])=O
InChIKey
InChIKey=IZYQQKNWEUSABZ-UHFFFAOYSA-N
Formula
C21H30ClN3O8
Mass
487.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Phenethylamines
- Level 5 Amphetamines and derivatives
-
Subclass
Phenethylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Amphetamines and derivatives
Alternative Parents
Alpha amino acids and derivatives Chlorobenzenes Fatty acid esters Aryl chlorides C-nitro compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organic salts Carbonyl compounds Hydrocarbon derivatives Organochlorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Amphetamine or derivatives - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Fatty acyl - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carboxylic acid derivative - 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 - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
External Descriptors
Not available