6-Nitro-2,1-benzisoxazole-3-carboxylic acid

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H4N2O5
Molecular Weight	208.1278
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-Nitro-2,1-benzisoxazole-3-carboxylic acid

Structure Search

SMILES

OC(=O)C1=C2C=CC(=CC2=NO1)[N+]([O-])=O

InChI

InChIKey=LIZZRGKWWBTAKX-UHFFFAOYSA-N

InChI=1S/C8H4N2O5/c11-8(12)7-5-2-1-4(10(13)14)3-6(5)9-15-7/h1-3H,(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C8H4N2O5
Molecular Weight	208.1278
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 20:01:45 GMT 2025` Edited by `admin` on `Tue Apr 01 20:01:45 GMT 2025`
Record UNII	ZF2MA9S8PA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-Nitro-2,1-benzisoxazole-3-carboxylic acid

Systematic Name

English

NSC-99403

Preferred Name

English

2,1-Benzisoxazole-3-carboxylic acid, 6-nitro-

Systematic Name

English

6-(Hydroxy(oxido)amino)-2,1-benzisoxazole-3-carboxylic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

ZF2MA9S8PA

Created by admin on Tue Apr 01 20:01:45 GMT 2025 , Edited by admin on Tue Apr 01 20:01:45 GMT 2025

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NSC

99403

Created by admin on Tue Apr 01 20:01:45 GMT 2025 , Edited by admin on Tue Apr 01 20:01:45 GMT 2025

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CAS

6501-77-5

Created by admin on Tue Apr 01 20:01:45 GMT 2025 , Edited by admin on Tue Apr 01 20:01:45 GMT 2025

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PUBCHEM

264343

Created by admin on Tue Apr 01 20:01:45 GMT 2025 , Edited by admin on Tue Apr 01 20:01:45 GMT 2025

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EPA CompTox

DTXSID40215353

Created by admin on Tue Apr 01 20:01:45 GMT 2025 , Edited by admin on Tue Apr 01 20:01:45 GMT 2025

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