3-Nitrobenzyl butyrate

CCCC(=O)OCC1=CC(=CC=C1)[N+]([O-])=O

InChIKey=HEZSMLGZPUJFQL-UHFFFAOYSA-N

InChI=1S/C11H13NO4/c1-2-4-11(13)16-8-9-5-3-6-10(7-9)12(14)15/h3,5-7H,2,4,8H2,1H3

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:22:03 GMT 2025` Edited by `admin` on `Mon Mar 31 22:22:03 GMT 2025`
Record UNII	86R4YZ3GE3
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

3-Nitrobenzyl butyrate

Systematic Name

English

(3-Nitrophenyl)methyl butanoate

Preferred Name

English

m-Nitrobenzyl butyrate

Systematic Name

English

Butanoic acid, (3-nitrophenyl)methyl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30152526

Created by admin on Mon Mar 31 22:22:03 GMT 2025 , Edited by admin on Mon Mar 31 22:22:03 GMT 2025

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PUBCHEM

147351

Created by admin on Mon Mar 31 22:22:03 GMT 2025 , Edited by admin on Mon Mar 31 22:22:03 GMT 2025

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FDA UNII

86R4YZ3GE3

Created by admin on Mon Mar 31 22:22:03 GMT 2025 , Edited by admin on Mon Mar 31 22:22:03 GMT 2025

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CAS

119613-13-7

Created by admin on Mon Mar 31 22:22:03 GMT 2025 , Edited by admin on Mon Mar 31 22:22:03 GMT 2025

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