5-Nitro-2,1-benzisoxazole

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H4N2O3
Molecular Weight	164.1183
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Nitro-2,1-benzisoxazole

Structure Search

SMILES

O=N(=O)C1=CC2=CON=C2C=C1

InChI

InChIKey=AFBFYMLZIWNGPH-UHFFFAOYSA-N

InChI=1S/C7H4N2O3/c10-9(11)6-1-2-7-5(3-6)4-12-8-7/h1-4H

HIDE SMILES / InChI

Molecular Formula	C7H4N2O3
Molecular Weight	164.1183
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 `Wed Apr 02 12:02:00 GMT 2025` Edited by `admin` on `Wed Apr 02 12:02:00 GMT 2025`
Record UNII	HG67Y3P67D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-252117

Preferred Name

English

5-Nitro-2,1-benzisoxazole

Systematic Name

English

5-Nitroanthranil

Systematic Name

English

2,1-Benzisoxazole, 5-nitro-

Systematic Name

English

Code System Code Type Description

FDA UNII

HG67Y3P67D

Created by admin on Wed Apr 02 12:02:00 GMT 2025 , Edited by admin on Wed Apr 02 12:02:00 GMT 2025

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CAS

4104-36-3

Created by admin on Wed Apr 02 12:02:00 GMT 2025 , Edited by admin on Wed Apr 02 12:02:00 GMT 2025

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NSC

252117

Created by admin on Wed Apr 02 12:02:00 GMT 2025 , Edited by admin on Wed Apr 02 12:02:00 GMT 2025

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PUBCHEM

318085

Created by admin on Wed Apr 02 12:02:00 GMT 2025 , Edited by admin on Wed Apr 02 12:02:00 GMT 2025

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EPA CompTox

DTXSID00312317

Created by admin on Wed Apr 02 12:02:00 GMT 2025 , Edited by admin on Wed Apr 02 12:02:00 GMT 2025

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