METHYL 3,5-DINITROBENZOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H6N2O6
Molecular Weight	226.143
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL 3,5-DINITROBENZOATE

Structure Search

SMILES

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

InChI

InChIKey=POGCCFLNFPIIGW-UHFFFAOYSA-N

InChI=1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H6N2O6
Molecular Weight	226.143
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 20:16:39 GMT 2025` Edited by `admin` on `Tue Apr 01 20:16:39 GMT 2025`
Record UNII	UB421R8G90
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL 3,5-DINITROBENZOATE

Systematic Name

English

NSC-7317

Preferred Name

English

BENZOIC ACID, 3,5-DINITRO-, METHYL ESTER

Systematic Name

English

3,5-DINITROBENZOIC ACID METHYL ESTER

Systematic Name

English

Code System Code Type Description

CAS

2702-58-1

Created by admin on Tue Apr 01 20:16:39 GMT 2025 , Edited by admin on Tue Apr 01 20:16:39 GMT 2025

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NSC

7317

Created by admin on Tue Apr 01 20:16:39 GMT 2025 , Edited by admin on Tue Apr 01 20:16:39 GMT 2025

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EPA CompTox

DTXSID60871874

Created by admin on Tue Apr 01 20:16:39 GMT 2025 , Edited by admin on Tue Apr 01 20:16:39 GMT 2025

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PUBCHEM

222067

Created by admin on Tue Apr 01 20:16:39 GMT 2025 , Edited by admin on Tue Apr 01 20:16:39 GMT 2025

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FDA UNII

UB421R8G90

Created by admin on Tue Apr 01 20:16:39 GMT 2025 , Edited by admin on Tue Apr 01 20:16:39 GMT 2025

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ECHA (EC/EINECS)

220-289-9

Created by admin on Tue Apr 01 20:16:39 GMT 2025 , Edited by admin on Tue Apr 01 20:16:39 GMT 2025

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