6-NITRO-1,2,3-BENZOTRIAZIN-4(1H)-ONE 2-OXIDE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H4N4O4
Molecular Weight	208.1311
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-NITRO-1,2,3-BENZOTRIAZIN-4(1H)-ONE 2-OXIDE

Structure Search

SMILES

[O-][N+](=O)C1=CC2=C(N[N+]([O-])=NC2=O)C=C1

InChI

InChIKey=BKYFXFGONFMJNN-UHFFFAOYSA-N

InChI=1S/C7H4N4O4/c12-7-5-3-4(10(13)14)1-2-6(5)8-11(15)9-7/h1-3H,(H,8,9,12)

HIDE SMILES / InChI

Molecular Formula	C7H4N4O4
Molecular Weight	208.1311
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 `Tue Apr 01 19:42:53 GMT 2025` Edited by `admin` on `Tue Apr 01 19:42:53 GMT 2025`
Record UNII	T78OPJ5IF6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-NITRO-1,2,3-BENZOTRIAZIN-4(1H)-ONE 2-OXIDE

Systematic Name

English

1,2,3-BENZOTRIAZIN-4(3H)-ONE, 6-NITRO-, 2-OXIDE

Preferred Name

English

6-NITRO-4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZIN-2-IUM-2-OLATE

Systematic Name

English

6-NITRO-2-OXIDO-1H-1,2,3-BENZOTRIAZIN-2-IUM-4-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

T78OPJ5IF6

Created by admin on Tue Apr 01 19:42:53 GMT 2025 , Edited by admin on Tue Apr 01 19:42:53 GMT 2025

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PUBCHEM

135410091

Created by admin on Tue Apr 01 19:42:53 GMT 2025 , Edited by admin on Tue Apr 01 19:42:53 GMT 2025

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ECHA (EC/EINECS)

289-498-0

Created by admin on Tue Apr 01 19:42:53 GMT 2025 , Edited by admin on Tue Apr 01 19:42:53 GMT 2025

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EPA CompTox

DTXSID50237642

Created by admin on Tue Apr 01 19:42:53 GMT 2025 , Edited by admin on Tue Apr 01 19:42:53 GMT 2025

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CAS

89403-85-0

Created by admin on Tue Apr 01 19:42:53 GMT 2025 , Edited by admin on Tue Apr 01 19:42:53 GMT 2025

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