Compound Identification
SMILES
CC(CC1=CC=C(OCC2=NO[N+]([O-])=C2C(N)=O)C=C1)NCC(O)C1=CC(O)=CC(O)=C1
InChIKey
InChIKey=ATTPETUTYJEEIJ-UHFFFAOYSA-N
Formula
C21H24N4O7
Mass
444.444
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Phenethylamines
- Level 5 Amphetamines and derivatives
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Subclass
Phenethylamines
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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
Phenylpropanes Resorcinols Phenoxy compounds Phenol ethers 2-heteroaryl carboxamides 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Furoxans Heteroaromatic compounds 1,2-aminoalcohols Secondary alcohols Primary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkylamines Aromatic alcohols Organic salts Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Amphetamine or derivatives - Phenylpropane - 2-heteroaryl carboxamide - Phenoxy compound - Resorcinol - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Alkyl aryl ether - Furoxan - Furazan - Oxadiazole - Azole - Heteroaromatic compound - Secondary alcohol - 1,2-aminoalcohol - Carboxamide group - Primary carboxylic acid amide - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Organic oxide - Amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic alcohol - Aromatic heteromonocyclic 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