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Details

Stereochemistry ACHIRAL
Molecular Formula C10H10N4O6
Molecular Weight 282.2096
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(ethoxycarbonyl)-7-methoxy-3-nitro-1H-pyrrolo[2,3-d]pyridazin-5-ium-5-olate

SMILES

CCOC(=O)C1=C(C2=C[N+]([O-])=NC(OC)=C2N1)[N+]([O-])=O

InChI

InChIKey=NGXUVZSCJKPLQY-UHFFFAOYSA-N
InChI=1S/C10H10N4O6/c1-3-20-10(15)7-8(14(17)18)5-4-13(16)12-9(19-2)6(5)11-7/h4,11H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H10N4O6
Molecular Weight 282.2096
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 12:37:41 GMT 2023
Edited
by admin
on Sat Dec 16 12:37:41 GMT 2023
Record UNII
YDX6FUJ2Y6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(ethoxycarbonyl)-7-methoxy-3-nitro-1H-pyrrolo[2,3-d]pyridazin-5-ium-5-olate
Systematic Name English
1H-Pyrrolo[2,3-d]pyridazine-2-carboxylic acid, 7-methoxy-3-nitro-, ethyl ester, 5-oxide
Systematic Name English
ethyl5-hydroxy-3-[hydroxy(oxido)amino]-7-methoxy-1,6-dihydropyrrolo[2,3-d]pyridazine-2-carboxylate
Systematic Name English
NSC-192996
Code English
Code System Code Type Description
FDA UNII
YDX6FUJ2Y6
Created by admin on Sat Dec 16 12:37:41 GMT 2023 , Edited by admin on Sat Dec 16 12:37:41 GMT 2023
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NSC
192996
Created by admin on Sat Dec 16 12:37:41 GMT 2023 , Edited by admin on Sat Dec 16 12:37:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID90198485
Created by admin on Sat Dec 16 12:37:41 GMT 2023 , Edited by admin on Sat Dec 16 12:37:41 GMT 2023
PRIMARY
CAS
50450-96-9
Created by admin on Sat Dec 16 12:37:41 GMT 2023 , Edited by admin on Sat Dec 16 12:37:41 GMT 2023
PRIMARY