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Details

Stereochemistry ACHIRAL
Molecular Formula C12H11NO6
Molecular Weight 265.2188
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITECAPONE

SMILES

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

InChI

InChIKey=UPMRZALMHVUCIN-UHFFFAOYSA-N
InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H11NO6
Molecular Weight 265.2188
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 16:55:13 UTC 2023
Edited
by admin
on Sat Dec 16 16:55:13 UTC 2023
Record UNII
98BS722498
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NITECAPONE
INN  
INN  
Official Name English
nitecapone [INN]
Common Name English
3-(3,4-DIHYDROXY-5-NITROBENZYLIDENE)-2,4-PENTANEDIONE
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C175164
Created by admin on Sat Dec 16 16:55:13 UTC 2023 , Edited by admin on Sat Dec 16 16:55:13 UTC 2023
PRIMARY
ChEMBL
CHEMBL167055
Created by admin on Sat Dec 16 16:55:13 UTC 2023 , Edited by admin on Sat Dec 16 16:55:13 UTC 2023
PRIMARY
WIKIPEDIA
Nitecapone
Created by admin on Sat Dec 16 16:55:13 UTC 2023 , Edited by admin on Sat Dec 16 16:55:13 UTC 2023
PRIMARY
EVMPD
SUB09312MIG
Created by admin on Sat Dec 16 16:55:13 UTC 2023 , Edited by admin on Sat Dec 16 16:55:13 UTC 2023
PRIMARY
CAS
116313-94-1
Created by admin on Sat Dec 16 16:55:13 UTC 2023 , Edited by admin on Sat Dec 16 16:55:13 UTC 2023
PRIMARY
INN
6514
Created by admin on Sat Dec 16 16:55:13 UTC 2023 , Edited by admin on Sat Dec 16 16:55:13 UTC 2023
PRIMARY
PUBCHEM
5464105
Created by admin on Sat Dec 16 16:55:13 UTC 2023 , Edited by admin on Sat Dec 16 16:55:13 UTC 2023
PRIMARY
FDA UNII
98BS722498
Created by admin on Sat Dec 16 16:55:13 UTC 2023 , Edited by admin on Sat Dec 16 16:55:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID80151347
Created by admin on Sat Dec 16 16:55:13 UTC 2023 , Edited by admin on Sat Dec 16 16:55:13 UTC 2023
PRIMARY
SMS_ID
100000083911
Created by admin on Sat Dec 16 16:55:13 UTC 2023 , Edited by admin on Sat Dec 16 16:55:13 UTC 2023
PRIMARY
MESH
C057364
Created by admin on Sat Dec 16 16:55:13 UTC 2023 , Edited by admin on Sat Dec 16 16:55:13 UTC 2023
PRIMARY
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