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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19NO3
Molecular Weight 237.2949
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate

SMILES

CC(=O)C1=C(C)NC(C(=O)OC(C)(C)C)=C1C

InChI

InChIKey=ANUXYJVRWSTYSY-UHFFFAOYSA-N
InChI=1S/C13H19NO3/c1-7-10(9(3)15)8(2)14-11(7)12(16)17-13(4,5)6/h14H,1-6H3

HIDE SMILES / InChI

Molecular Formula C13H19NO3
Molecular Weight 237.2949
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:49:06 GMT 2023
Edited
by admin
on Sat Dec 16 12:49:06 GMT 2023
Record UNII
G9S4S45L29
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
tert-Butyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate
Common Name English
1,1-Dimethylethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Systematic Name English
NSC-157282
Code English
1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, 1,1-dimethylethyl ester
Systematic Name English
Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, tert-butyl ester
Systematic Name English
tert-Butyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Systematic Name English
Code System Code Type Description
CAS
63040-83-5
Created by admin on Sat Dec 16 12:49:06 GMT 2023 , Edited by admin on Sat Dec 16 12:49:06 GMT 2023
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PUBCHEM
182360
Created by admin on Sat Dec 16 12:49:06 GMT 2023 , Edited by admin on Sat Dec 16 12:49:06 GMT 2023
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EPA CompTox
DTXSID70978964
Created by admin on Sat Dec 16 12:49:06 GMT 2023 , Edited by admin on Sat Dec 16 12:49:06 GMT 2023
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NSC
157282
Created by admin on Sat Dec 16 12:49:06 GMT 2023 , Edited by admin on Sat Dec 16 12:49:06 GMT 2023
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FDA UNII
G9S4S45L29
Created by admin on Sat Dec 16 12:49:06 GMT 2023 , Edited by admin on Sat Dec 16 12:49:06 GMT 2023
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