1-METHYL-3-(2-(5-NITRO-2-FURYL)VINYL)-.DELTA.2-1,2,4-TRIAZOLIN-5-ONE

Stereochemistry	ACHIRAL
Molecular Formula	C9H8N4O4
Molecular Weight	236.1842
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0
Stereo Comments	Assumed E-isomer. MM2 minimum energy for E and Z isomers are 22 and 34 kcal/mol respectively

CN1N=C(NC1=O)\C=C\C2=CC=C(O2)[N+]([O-])=O

InChIKey=KBBXVZGEXOXJKW-DUXPYHPUSA-N

InChI=1S/C9H8N4O4/c1-12-9(14)10-7(11-12)4-2-6-3-5-8(17-6)13(15)16/h2-5H,1H3,(H,10,11,14)/b4-2+

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

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:51:52 GMT 2025` Edited by `admin` on `Mon Mar 31 17:51:52 GMT 2025`
Record UNII	2TQ84SZ08W
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

1-METHYL-3-(2-(5-NITRO-2-FURYL)VINYL)-.DELTA.2-1,2,4-TRIAZOLIN-5-ONE

Common Name

English

.DELTA.2-1,2,4-TRIAZOLIN-5-ONE, 1-METHYL-3-(2-(5-NITRO-2-FURYL)VINYL)- (7CI,8CI)

Preferred Name

English

3H-1,2,4-TRIAZOL-3-ONE, 1,2-DIHYDRO-2-METHYL-5-(2-(5-NITRO-2-FURANYL)ETHENYL)-

Systematic Name

English

1-METHYL-3-(2-(5-NITRO-2-FURYL)VINYL)-DELTA 2-1,2,4-TRIAZOLIN-5-ONE

Common Name

English

Code System Code Type Description

PUBCHEM

137321674

Created by admin on Mon Mar 31 17:51:52 GMT 2025 , Edited by admin on Mon Mar 31 17:51:52 GMT 2025

PRIMARY

CAS

6595-70-6

Created by admin on Mon Mar 31 17:51:52 GMT 2025 , Edited by admin on Mon Mar 31 17:51:52 GMT 2025

PRIMARY

FDA UNII

2TQ84SZ08W

Created by admin on Mon Mar 31 17:51:52 GMT 2025 , Edited by admin on Mon Mar 31 17:51:52 GMT 2025

PRIMARY