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

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H7NO6
Molecular Weight	225.155
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,3-BENZENEDICARBOXYLIC ACID, 5-NITRO-, 1-METHYL ESTER

Structure Search

SMILES

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

InChI

InChIKey=ZCRNIIJXDRYWDU-UHFFFAOYSA-N

InChI=1S/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C9H7NO6
Molecular Weight	225.155
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 23:11:55 GMT 2025` Edited by `admin` on `Mon Mar 31 23:11:55 GMT 2025`
Record UNII	V8UVV7P68X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

5-NITROISOPHTHALIC ACID MONOMETHYL ESTER

Preferred Name

English

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

Systematic Name

English

MONOMETHYL 5-NITROISOPHTHALATE

Common Name

English

Code System Code Type Description

PUBCHEM

74776

Created by admin on Mon Mar 31 23:11:55 GMT 2025 , Edited by admin on Mon Mar 31 23:11:55 GMT 2025

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EPA CompTox

DTXSID50883784

Created by admin on Mon Mar 31 23:11:55 GMT 2025 , Edited by admin on Mon Mar 31 23:11:55 GMT 2025

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FDA UNII

V8UVV7P68X

Created by admin on Mon Mar 31 23:11:55 GMT 2025 , Edited by admin on Mon Mar 31 23:11:55 GMT 2025

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CAS

1955-46-0

Created by admin on Mon Mar 31 23:11:55 GMT 2025 , Edited by admin on Mon Mar 31 23:11:55 GMT 2025

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ECHA (EC/EINECS)

217-793-6

Created by admin on Mon Mar 31 23:11:55 GMT 2025 , Edited by admin on Mon Mar 31 23:11:55 GMT 2025

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