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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15ClN2O4
Molecular Weight 298.722
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2-CHLORO-5-NITROPHENYL)-4,4-DIMETHYL-3-OXOPENTANAMIDE

SMILES

CC(C)(C)C(=O)CC(=O)NC1=CC(=CC=C1Cl)[N+]([O-])=O

InChI

InChIKey=HJVPUVSOKRKPPC-UHFFFAOYSA-N
InChI=1S/C13H15ClN2O4/c1-13(2,3)11(17)7-12(18)15-10-6-8(16(19)20)4-5-9(10)14/h4-6H,7H2,1-3H3,(H,15,18)

HIDE SMILES / InChI

Molecular Formula C13H15ClN2O4
Molecular Weight 298.722
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 12:13:55 GMT 2023
Edited
by admin
on Sat Dec 16 12:13:55 GMT 2023
Record UNII
79P8RG57TP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2-CHLORO-5-NITROPHENYL)-4,4-DIMETHYL-3-OXOPENTANAMIDE
Systematic Name English
PENTANAMIDE, N-(2-CHLORO-5-NITROPHENYL)-4,4-DIMETHYL-3-OXO-
Systematic Name English
NSC-53164
Code English
Code System Code Type Description
CAS
63163-96-2
Created by admin on Sat Dec 16 12:13:55 GMT 2023 , Edited by admin on Sat Dec 16 12:13:55 GMT 2023
PRIMARY
PUBCHEM
96110
Created by admin on Sat Dec 16 12:13:55 GMT 2023 , Edited by admin on Sat Dec 16 12:13:55 GMT 2023
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EPA CompTox
DTXSID0069751
Created by admin on Sat Dec 16 12:13:55 GMT 2023 , Edited by admin on Sat Dec 16 12:13:55 GMT 2023
PRIMARY
ECHA (EC/EINECS)
263-979-5
Created by admin on Sat Dec 16 12:13:55 GMT 2023 , Edited by admin on Sat Dec 16 12:13:55 GMT 2023
PRIMARY
FDA UNII
79P8RG57TP
Created by admin on Sat Dec 16 12:13:55 GMT 2023 , Edited by admin on Sat Dec 16 12:13:55 GMT 2023
PRIMARY
NSC
53164
Created by admin on Sat Dec 16 12:13:55 GMT 2023 , Edited by admin on Sat Dec 16 12:13:55 GMT 2023
PRIMARY