Methyl 3,4,5-trimethoxy-2-nitrobenzoate

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H13NO7
Molecular Weight	271.2234
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 3,4,5-trimethoxy-2-nitrobenzoate

Structure Search

SMILES

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

InChI

InChIKey=HCEIEWYPDCDNNU-UHFFFAOYSA-N

InChI=1S/C11H13NO7/c1-16-7-5-6(11(13)19-4)8(12(14)15)10(18-3)9(7)17-2/h5H,1-4H3

HIDE SMILES / InChI

Molecular Formula	C11H13NO7
Molecular Weight	271.2234
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 19:10:37 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:37 GMT 2025`
Record UNII	BC6PHE5AUM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Methyl 3,4,5-trimethoxy-2-nitrobenzoate

Systematic Name

English

NSC-20282

Preferred Name

English

Benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester

Systematic Name

English

Code System Code Type Description

CAS

5081-42-5

Created by admin on Tue Apr 01 19:10:37 GMT 2025 , Edited by admin on Tue Apr 01 19:10:37 GMT 2025

PRIMARY

EPA CompTox

DTXSID1063695

Created by admin on Tue Apr 01 19:10:37 GMT 2025 , Edited by admin on Tue Apr 01 19:10:37 GMT 2025

PRIMARY

ECHA (EC/EINECS)

225-794-8

Created by admin on Tue Apr 01 19:10:37 GMT 2025 , Edited by admin on Tue Apr 01 19:10:37 GMT 2025

PRIMARY

NSC

20282

Created by admin on Tue Apr 01 19:10:37 GMT 2025 , Edited by admin on Tue Apr 01 19:10:37 GMT 2025

PRIMARY

FDA UNII

BC6PHE5AUM

Created by admin on Tue Apr 01 19:10:37 GMT 2025 , Edited by admin on Tue Apr 01 19:10:37 GMT 2025

PRIMARY

PUBCHEM

78765

Created by admin on Tue Apr 01 19:10:37 GMT 2025 , Edited by admin on Tue Apr 01 19:10:37 GMT 2025

PRIMARY