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Details

Stereochemistry ACHIRAL
Molecular Formula C14H11N3O5
Molecular Weight 301.2542
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALE-0540

SMILES

OCCNN1C(=O)C2=CC(=CC3=CC=CC(C1=O)=C23)[N+]([O-])=O

InChI

InChIKey=SURCGQGDUADKBL-UHFFFAOYSA-N
InChI=1S/C14H11N3O5/c18-5-4-15-16-13(19)10-3-1-2-8-6-9(17(21)22)7-11(12(8)10)14(16)20/h1-3,6-7,15,18H,4-5H2

HIDE SMILES / InChI

Molecular Formula C14H11N3O5
Molecular Weight 301.2542
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 21:48:31 GMT 2025
Edited
by admin
on Mon Mar 31 21:48:31 GMT 2025
Record UNII
1R1L47BXMJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-BENZ(DE)ISOQUINOLINE-1,3(2H)-DIONE, 2-((2-HYDROXYETHYL)AMINO)-5-NITRO-
Preferred Name English
ALE-0540
Common Name English
Code System Code Type Description
PUBCHEM
2826530
Created by admin on Mon Mar 31 21:48:31 GMT 2025 , Edited by admin on Mon Mar 31 21:48:31 GMT 2025
PRIMARY
CAS
234779-34-1
Created by admin on Mon Mar 31 21:48:31 GMT 2025 , Edited by admin on Mon Mar 31 21:48:31 GMT 2025
PRIMARY
FDA UNII
1R1L47BXMJ
Created by admin on Mon Mar 31 21:48:31 GMT 2025 , Edited by admin on Mon Mar 31 21:48:31 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY