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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19N5O4
Molecular Weight 309.3211
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N',N'-diethyl-N-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)propane-1,3-diamine

SMILES

CCN(CC)CCCNC1=CC=C(C2=NO[N+]([O-])=C12)[N+]([O-])=O

InChI

InChIKey=GWGCXMGGQQVJPA-UHFFFAOYSA-N
InChI=1S/C13H19N5O4/c1-3-16(4-2)9-5-8-14-10-6-7-11(17(19)20)12-13(10)18(21)22-15-12/h6-7,14H,3-5,8-9H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
N',N'-diethyl-N-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)propane-1,3-diamine
Systematic Name English
1,3-Propanediamine, N,N-diethyl-N′-(7-nitro-4-benzofurazanyl)-, N-oxide
Systematic Name English
1,3-Propanediamine, N1,N1-diethyl-N3-(7-nitro-3-oxido-2,1,3-benzoxadiazol-4-yl)-
Systematic Name English
BENZOFURAZAN, 7-(3-(DIETHYLAMINO)PROPYLAMINO)-4-NITRO-, 1-OXIDE
Systematic Name English
NSC-288662
Code English
Code System Code Type Description
EPA CompTox
DTXSID40228983
Created by admin on Sat Dec 16 12:48:47 GMT 2023 , Edited by admin on Sat Dec 16 12:48:47 GMT 2023
PRIMARY
NSC
288662
Created by admin on Sat Dec 16 12:48:47 GMT 2023 , Edited by admin on Sat Dec 16 12:48:47 GMT 2023
PRIMARY
FDA UNII
6R39DYY6WK
Created by admin on Sat Dec 16 12:48:47 GMT 2023 , Edited by admin on Sat Dec 16 12:48:47 GMT 2023
PRIMARY
PUBCHEM
54164
Created by admin on Sat Dec 16 12:48:47 GMT 2023 , Edited by admin on Sat Dec 16 12:48:47 GMT 2023
PRIMARY
CAS
78329-76-7
Created by admin on Sat Dec 16 12:48:47 GMT 2023 , Edited by admin on Sat Dec 16 12:48:47 GMT 2023
PRIMARY
NIH
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