4,5-DIMETHOXY-2-NITROBENZOIC ACID

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NCATS

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 4,5-DIMETHOXY-2-NITROBENZOIC ACID

Structure Search

SMILES

COC1=C(OC)C=C(C(=C1)C(O)=O)[N+]([O-])=O

InChI

InChIKey=WWCMFGBGMJAJRX-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C9H9NO6
Molecular Weight	227.1709
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 20:21:13 GMT 2025` Edited by `admin` on `Tue Apr 01 20:21:13 GMT 2025`
Record UNII	ND4L58599P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,5-DIMETHOXY-2-NITROBENZOIC ACID

Systematic Name

English

2-NITRO-4,5-DIMETHOXYBENZOIC ACID

Preferred Name

English

3,4-DIMETHOXY-6-NITROBENZOIC ACID

Systematic Name

English

BENZOIC ACID, 4,5-DIMETHOXY-2-NITRO-

Systematic Name

English

Code System Code Type Description

PUBCHEM

78690

Created by admin on Tue Apr 01 20:21:13 GMT 2025 , Edited by admin on Tue Apr 01 20:21:13 GMT 2025

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ECHA (EC/EINECS)

225-657-2

Created by admin on Tue Apr 01 20:21:13 GMT 2025 , Edited by admin on Tue Apr 01 20:21:13 GMT 2025

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CAS

4998-07-6

Created by admin on Tue Apr 01 20:21:13 GMT 2025 , Edited by admin on Tue Apr 01 20:21:13 GMT 2025

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FDA UNII

ND4L58599P

Created by admin on Tue Apr 01 20:21:13 GMT 2025 , Edited by admin on Tue Apr 01 20:21:13 GMT 2025

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EPA CompTox

DTXSID90198162

Created by admin on Tue Apr 01 20:21:13 GMT 2025 , Edited by admin on Tue Apr 01 20:21:13 GMT 2025

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