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Details

Stereochemistry RACEMIC
Molecular Formula C15H17NO6
Molecular Weight 307.2986
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2-acetyl-3-(3-nitrophenyl)-5-oxohexanoate

SMILES

COC(=O)C(C(CC(C)=O)C1=CC(=CC=C1)[N+]([O-])=O)C(C)=O

InChI

InChIKey=RAJXBQGICRMTEL-UHFFFAOYSA-N
InChI=1S/C15H17NO6/c1-9(17)7-13(14(10(2)18)15(19)22-3)11-5-4-6-12(8-11)16(20)21/h4-6,8,13-14H,7H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Nifedipine Impurity 55
Preferred Name English
Methyl 2-acetyl-3-(3-nitrophenyl)-5-oxohexanoate
Systematic Name English
Benzenepropanoic acid, ?-acetyl-3-nitro-?-(2-oxopropyl)-, methyl ester
Systematic Name English
Methyl ?-acetyl-3-nitro-?-(2-oxopropyl)benzenepropanoate
Systematic Name English
Code System Code Type Description
CAS
2469555-30-2
Created by admin on Wed Apr 02 13:19:35 GMT 2025 , Edited by admin on Wed Apr 02 13:19:35 GMT 2025
PRIMARY
FDA UNII
PZP87Z3HLW
Created by admin on Wed Apr 02 13:19:35 GMT 2025 , Edited by admin on Wed Apr 02 13:19:35 GMT 2025
PRIMARY
PUBCHEM
139025613
Created by admin on Wed Apr 02 13:19:35 GMT 2025 , Edited by admin on Wed Apr 02 13:19:35 GMT 2025
PRIMARY
NIH
NCATS
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