SQ-18506

Stereochemistry	ACHIRAL
Molecular Formula	C8H6N4O4
Molecular Weight	222.1576
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0
Stereo Comments	MM2 minimum energy for E and Z isomers are 26.4472 and 41.9664 kcal/mol respectively

[O-][N+](=O)C1=CC=C(O1)\C=C\C2=NOC(=N)N2

InChIKey=RMZNNIOKNRDECR-HNQUOIGGSA-N

InChI=1S/C8H6N4O4/c9-8-10-6(11-16-8)3-1-5-2-4-7(15-5)12(13)14/h1-4H,(H2,9,10,11)/b3-1+

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:19:51 GMT 2023` Edited by `admin` on `Fri Dec 15 15:19:51 GMT 2023`
Record UNII	B5J6S26XCE
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

SQ-18506

Code

English

1,2,4-OXADIAZOL-5-AMINE, 3-((1E)-2-(5-NITRO-2-FURANYL)ETHENYL)-

Systematic Name

English

TRANS-5-AMINO-3-((5-NITRO-2-FURYL)VINYL)-1,2,4-OXADIAZOLE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID1020061