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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NO6
Molecular Weight 227.1709
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-hydroxy-3-methoxy-5-nitrobenzoate

SMILES

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

InChI

InChIKey=ZQIHGTCQYHQBMY-UHFFFAOYSA-N
InChI=1S/C9H9NO6/c1-15-7-4-5(9(12)16-2)3-6(8(7)11)10(13)14/h3-4,11H,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Benzoic acid, 4-hydroxy-3-methoxy-5-nitro-, methyl ester
Preferred Name English
Methyl 4-hydroxy-3-methoxy-5-nitrobenzoate
Systematic Name English
Methyl 4-hydroxy-3-methoxy-5-nitrobenzenecarboxylate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90446877
Created by admin on Wed Apr 02 18:02:47 GMT 2025 , Edited by admin on Wed Apr 02 18:02:47 GMT 2025
PRIMARY
CAS
42590-00-1
Created by admin on Wed Apr 02 18:02:47 GMT 2025 , Edited by admin on Wed Apr 02 18:02:47 GMT 2025
PRIMARY
PUBCHEM
10878886
Created by admin on Wed Apr 02 18:02:47 GMT 2025 , Edited by admin on Wed Apr 02 18:02:47 GMT 2025
PRIMARY
FDA UNII
J4H2C2DYA5
Created by admin on Wed Apr 02 18:02:47 GMT 2025 , Edited by admin on Wed Apr 02 18:02:47 GMT 2025
PRIMARY
NIH
NCATS
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