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Details

Stereochemistry MIXED
Molecular Formula C17H19NO8
Molecular Weight 365.3347
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dimethyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxo-1,3-cyclohexanedicarboxylate

SMILES

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

InChI

InChIKey=WGETYYLVMDBIRH-UHFFFAOYSA-N
InChI=1S/C17H19NO8/c1-17(22)8-11(19)13(15(20)25-2)12(14(17)16(21)26-3)9-5-4-6-10(7-9)18(23)24/h4-7,12-14,22H,8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C17H19NO8
Molecular Weight 365.3347
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:17:11 GMT 2025
Edited
by admin
on Wed Apr 02 17:17:11 GMT 2025
Record UNII
7T35PW2SBY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Dimethyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxo-1,3-cyclohexanedicarboxylate
Systematic Name English
1,3-Cyclohexanedicarboxylic acid, 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxo-, 1,3-dimethyl ester
Preferred Name English
1,3-Cyclohexanedicarboxylic acid, 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxo-, dimethyl ester
Systematic Name English
1,3-Dimethyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxo-1,3-cyclohexanedicarboxylate
Systematic Name English
Code System Code Type Description
PUBCHEM
2868846
Created by admin on Wed Apr 02 17:17:11 GMT 2025 , Edited by admin on Wed Apr 02 17:17:11 GMT 2025
PRIMARY
FDA UNII
7T35PW2SBY
Created by admin on Wed Apr 02 17:17:11 GMT 2025 , Edited by admin on Wed Apr 02 17:17:11 GMT 2025
PRIMARY
CAS
142592-09-4
Created by admin on Wed Apr 02 17:17:11 GMT 2025 , Edited by admin on Wed Apr 02 17:17:11 GMT 2025
PRIMARY