DIMETHYL 5-NITROISOPHTHALATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H9NO6
Molecular Weight	239.1816
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIMETHYL 5-NITROISOPHTHALATE

Structure Search

SMILES

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

InChI

InChIKey=GGTSJKFPGKFLCZ-UHFFFAOYSA-N

InChI=1S/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C10H9NO6
Molecular Weight	239.1816
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 `Mon Mar 31 23:36:05 GMT 2025` Edited by `admin` on `Mon Mar 31 23:36:05 GMT 2025`
Record UNII	AM7XSW83FE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIMETHYL 5-NITROISOPHTHALATE

Systematic Name

English

NSC-93786

Preferred Name

English

1,3-BENZENEDICARBOXYLIC ACID, 5-NITRO-, 1,3-DIMETHYL ESTER

Systematic Name

English

1,3-BENZENEDICARBOXYLIC ACID, 5-NITRO-, DIMETHYL ESTER

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

236-307-3

Created by admin on Mon Mar 31 23:36:05 GMT 2025 , Edited by admin on Mon Mar 31 23:36:05 GMT 2025

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NSC

93786

Created by admin on Mon Mar 31 23:36:05 GMT 2025 , Edited by admin on Mon Mar 31 23:36:05 GMT 2025

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PUBCHEM

83316

Created by admin on Mon Mar 31 23:36:05 GMT 2025 , Edited by admin on Mon Mar 31 23:36:05 GMT 2025

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CAS

13290-96-5

Created by admin on Mon Mar 31 23:36:05 GMT 2025 , Edited by admin on Mon Mar 31 23:36:05 GMT 2025

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FDA UNII

AM7XSW83FE

Created by admin on Mon Mar 31 23:36:05 GMT 2025 , Edited by admin on Mon Mar 31 23:36:05 GMT 2025

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EPA CompTox

DTXSID3065403

Created by admin on Mon Mar 31 23:36:05 GMT 2025 , Edited by admin on Mon Mar 31 23:36:05 GMT 2025

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