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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10ClNO4
Molecular Weight 267.665
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((4-CHLORO-3-NITROPHENYL)METHYLIDENE)PENTANE-2,4-DIONE

SMILES

CC(=O)C(=CC1=CC=C(Cl)C(=C1)[N+]([O-])=O)C(C)=O

InChI

InChIKey=QWLAIFQFBSUBNS-UHFFFAOYSA-N
InChI=1S/C12H10ClNO4/c1-7(15)10(8(2)16)5-9-3-4-11(13)12(6-9)14(17)18/h3-6H,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H10ClNO4
Molecular Weight 267.665
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 Fri Dec 15 18:51:12 GMT 2023
Edited
by admin
on Fri Dec 15 18:51:12 GMT 2023
Record UNII
39EF272LMN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((4-CHLORO-3-NITROPHENYL)METHYLIDENE)PENTANE-2,4-DIONE
Systematic Name English
OR-2370
Code English
OR2370
Code English
2,4-PENTANEDIONE, 3-((4-CHLORO-3-NITROPHENYL)METHYLENE)-
Systematic Name English
3-((4-CHLORO-3-NITROPHENYL)METHYLENE)-2,4-PENTANEDIONE
Systematic Name English
Code System Code Type Description
FDA UNII
39EF272LMN
Created by admin on Fri Dec 15 18:51:12 GMT 2023 , Edited by admin on Fri Dec 15 18:51:12 GMT 2023
PRIMARY
CAS
137109-81-0
Created by admin on Fri Dec 15 18:51:12 GMT 2023 , Edited by admin on Fri Dec 15 18:51:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID80474705
Created by admin on Fri Dec 15 18:51:12 GMT 2023 , Edited by admin on Fri Dec 15 18:51:12 GMT 2023
PRIMARY
PUBCHEM
11957792
Created by admin on Fri Dec 15 18:51:12 GMT 2023 , Edited by admin on Fri Dec 15 18:51:12 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY