Methyl 4-hydroxy-3-nitrobenzoate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 4-hydroxy-3-nitrobenzoate

Structure Search

SMILES

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

InChI

InChIKey=GNCWCTBHZCBXGL-UHFFFAOYSA-N

InChI=1S/C8H7NO5/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,10H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H7NO5
Molecular Weight	197.1449
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 17:47:43 GMT 2025` Edited by `admin` on `Tue Apr 01 17:47:43 GMT 2025`
Record UNII	DVQ75MEJ5Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-28667

Preferred Name

English

Methyl 4-hydroxy-3-nitrobenzoate

Systematic Name

English

4-Hydroxy-3-nitrobenzoic acid methyl ester

Systematic Name

English

Benzoic acid, 4-hydroxy-3-nitro-, methyl ester

Systematic Name

English

Code System Code Type Description

NSC

28667

Created by admin on Tue Apr 01 17:47:43 GMT 2025 , Edited by admin on Tue Apr 01 17:47:43 GMT 2025

PRIMARY

PUBCHEM

66835

Created by admin on Tue Apr 01 17:47:43 GMT 2025 , Edited by admin on Tue Apr 01 17:47:43 GMT 2025

PRIMARY

FDA UNII

DVQ75MEJ5Y

Created by admin on Tue Apr 01 17:47:43 GMT 2025 , Edited by admin on Tue Apr 01 17:47:43 GMT 2025

PRIMARY

CAS

99-42-3

Created by admin on Tue Apr 01 17:47:43 GMT 2025 , Edited by admin on Tue Apr 01 17:47:43 GMT 2025

PRIMARY

ECHA (EC/EINECS)

202-755-3

Created by admin on Tue Apr 01 17:47:43 GMT 2025 , Edited by admin on Tue Apr 01 17:47:43 GMT 2025

PRIMARY

EPA CompTox

DTXSID7059197

Created by admin on Tue Apr 01 17:47:43 GMT 2025 , Edited by admin on Tue Apr 01 17:47:43 GMT 2025

PRIMARY