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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16N2O5
Molecular Weight 280.2765
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 5-methyl-2-nitro-4-[(1-oxobutyl)amino]benzoate

SMILES

CCCC(=O)NC1=C(C)C=C(C(=O)OC)C(=C1)[N+]([O-])=O

InChI

InChIKey=PIRIKRLQSYTPJN-UHFFFAOYSA-N
InChI=1S/C13H16N2O5/c1-4-5-12(16)14-10-7-11(15(18)19)9(6-8(10)2)13(17)20-3/h6-7H,4-5H2,1-3H3,(H,14,16)

HIDE SMILES / InChI

Molecular Formula C13H16N2O5
Molecular Weight 280.2765
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 Wed Apr 02 20:31:51 GMT 2025
Edited
by admin
on Wed Apr 02 20:31:51 GMT 2025
Record UNII
PNF5DG57FG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 5-methyl-2-nitro-4-[(1-oxobutyl)amino]-, methyl ester
Preferred Name English
Methyl 5-methyl-2-nitro-4-[(1-oxobutyl)amino]benzoate
Systematic Name English
Code System Code Type Description
PUBCHEM
22237012
Created by admin on Wed Apr 02 20:31:51 GMT 2025 , Edited by admin on Wed Apr 02 20:31:51 GMT 2025
PRIMARY
CAS
1147892-29-2
Created by admin on Wed Apr 02 20:31:51 GMT 2025 , Edited by admin on Wed Apr 02 20:31:51 GMT 2025
PRIMARY
FDA UNII
PNF5DG57FG
Created by admin on Wed Apr 02 20:31:51 GMT 2025 , Edited by admin on Wed Apr 02 20:31:51 GMT 2025
PRIMARY