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Details

Stereochemistry RACEMIC
Molecular Formula C15H15NO5
Molecular Weight 289.2833
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-methyl-6-(3-nitrophenyl)-2-oxo-3-cyclohexene-1-carboxylate

SMILES

COC(=O)C1C(CC(C)=CC1=O)C2=CC(=CC=C2)[N+]([O-])=O

InChI

InChIKey=VZHIQFNWPDSBHN-UHFFFAOYSA-N
InChI=1S/C15H15NO5/c1-9-6-12(14(13(17)7-9)15(18)21-2)10-4-3-5-11(8-10)16(19)20/h3-5,7-8,12,14H,6H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-Cyclohexene-1-carboxylic acid, 4-methyl-6-(3-nitrophenyl)-2-oxo-, methyl ester
Preferred Name English
Methyl 4-methyl-6-(3-nitrophenyl)-2-oxo-3-cyclohexene-1-carboxylate
Systematic Name English
Code System Code Type Description
PUBCHEM
139025617
Created by admin on Wed Apr 02 10:53:21 GMT 2025 , Edited by admin on Wed Apr 02 10:53:21 GMT 2025
PRIMARY
FDA UNII
LC7CQ84REN
Created by admin on Wed Apr 02 10:53:21 GMT 2025 , Edited by admin on Wed Apr 02 10:53:21 GMT 2025
PRIMARY
CAS
2469735-68-8
Created by admin on Wed Apr 02 10:53:21 GMT 2025 , Edited by admin on Wed Apr 02 10:53:21 GMT 2025
PRIMARY
NIH
NCATS
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