3-ACETAMIDO-5-NITROBENZOIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H8N2O5
Molecular Weight	224.1702
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-ACETAMIDO-5-NITROBENZOIC ACID

Structure Search

SMILES

CC(=O)NC1=CC(=CC(=C1)C(O)=O)[N+]([O-])=O

InChI

InChIKey=PXAFGNQRBIXGLM-UHFFFAOYSA-N

InChI=1S/C9H8N2O5/c1-5(12)10-7-2-6(9(13)14)3-8(4-7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)

HIDE SMILES / InChI

Molecular Formula	C9H8N2O5
Molecular Weight	224.1702
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 `Sat Dec 16 12:34:22 GMT 2023` Edited by `admin` on `Sat Dec 16 12:34:22 GMT 2023`
Record UNII	U5S684G9YW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-ACETAMIDO-5-NITROBENZOIC ACID

Systematic Name

English

BENZOIC ACID, 3-(ACETYLAMINO)-5-NITRO-

Systematic Name

English

NSC-15321

Code

English

Code System Code Type Description

PUBCHEM

79590

Created by admin on Sat Dec 16 12:34:22 GMT 2023 , Edited by admin on Sat Dec 16 12:34:22 GMT 2023

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NSC

15321

Created by admin on Sat Dec 16 12:34:22 GMT 2023 , Edited by admin on Sat Dec 16 12:34:22 GMT 2023

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FDA UNII

U5S684G9YW

Created by admin on Sat Dec 16 12:34:22 GMT 2023 , Edited by admin on Sat Dec 16 12:34:22 GMT 2023

PRIMARY

EPA CompTox

DTXSID60203070

Created by admin on Sat Dec 16 12:34:22 GMT 2023 , Edited by admin on Sat Dec 16 12:34:22 GMT 2023

PRIMARY

ECHA (EC/EINECS)

226-760-5

Created by admin on Sat Dec 16 12:34:22 GMT 2023 , Edited by admin on Sat Dec 16 12:34:22 GMT 2023

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CAS

5464-58-4

Created by admin on Sat Dec 16 12:34:22 GMT 2023 , Edited by admin on Sat Dec 16 12:34:22 GMT 2023

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