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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10Cl2N4O5
Molecular Weight 373.148
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(5-(4,5-DICHLORO-2-NITROPHENYL)-4-NITROIMIDAZOL-1-YL)-2-BUTANONE

SMILES

CC(=O)CCN1C=NC(=C1C2=C(C=C(Cl)C(Cl)=C2)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=PQKJALBITWTBJS-UHFFFAOYSA-N
InChI=1S/C13H10Cl2N4O5/c1-7(20)2-3-17-6-16-13(19(23)24)12(17)8-4-9(14)10(15)5-11(8)18(21)22/h4-6H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H10Cl2N4O5
Molecular Weight 373.148
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 23:16:41 GMT 2025
Edited
by admin
on Mon Mar 31 23:16:41 GMT 2025
Record UNII
951UY70IYU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(5-(4,5-DICHLORO-2-NITROPHENYL)-4-NITROIMIDAZOL-1-YL)-2-BUTANONE
Systematic Name English
2-BUTANONE, 4-(5-(4,5-DICHLORO-2-NITROPHENYL)-4-NITRO-1H-IMIDAZOL-1-YL)-
Preferred Name English
2-BUTANONE, 4-(5-(4,5-DICHLORO-2-NITROPHENYL)-4-NITROIMIDAZOL-1-YL)-
Systematic Name English
Code System Code Type Description
CAS
14268-82-7
Created by admin on Mon Mar 31 23:16:41 GMT 2025 , Edited by admin on Mon Mar 31 23:16:41 GMT 2025
PRIMARY
FDA UNII
951UY70IYU
Created by admin on Mon Mar 31 23:16:41 GMT 2025 , Edited by admin on Mon Mar 31 23:16:41 GMT 2025
PRIMARY
PUBCHEM
117587626
Created by admin on Mon Mar 31 23:16:41 GMT 2025 , Edited by admin on Mon Mar 31 23:16:41 GMT 2025
PRIMARY