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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6N2O3
Molecular Weight 154.1234
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Nitro-2-acetylpyrrole

SMILES

CC(=O)C1=CC=CN1[N+]([O-])=O

InChI

InChIKey=IAWKNFOCXFSSLA-UHFFFAOYSA-N
InChI=1S/C6H6N2O3/c1-5(9)6-3-2-4-7(6)8(10)11/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula C6H6N2O3
Molecular Weight 154.1234
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 Mon Mar 31 21:58:17 GMT 2025
Edited
by admin
on Mon Mar 31 21:58:17 GMT 2025
Record UNII
KD8W8V9NWW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(1-Nitro-1H-pyrrol-2-yl)ethanone
Preferred Name English
1-Nitro-2-acetylpyrrole
Systematic Name English
Ethanone, 1-(1-nitro-1H-pyrrol-2-yl)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50166408
Created by admin on Mon Mar 31 21:58:17 GMT 2025 , Edited by admin on Mon Mar 31 21:58:17 GMT 2025
PRIMARY
FDA UNII
KD8W8V9NWW
Created by admin on Mon Mar 31 21:58:17 GMT 2025 , Edited by admin on Mon Mar 31 21:58:17 GMT 2025
PRIMARY
PUBCHEM
154698
Created by admin on Mon Mar 31 21:58:17 GMT 2025 , Edited by admin on Mon Mar 31 21:58:17 GMT 2025
PRIMARY
CAS
158366-45-1
Created by admin on Mon Mar 31 21:58:17 GMT 2025 , Edited by admin on Mon Mar 31 21:58:17 GMT 2025
PRIMARY