Butyl 4-nitrobenzoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H13NO4
Molecular Weight	223.2252
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Butyl 4-nitrobenzoate

Structure Search

SMILES

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

InChI

InChIKey=DVTGVOHTTDVRJF-UHFFFAOYSA-N

InChI=1S/C11H13NO4/c1-2-3-8-16-11(13)9-4-6-10(7-5-9)12(14)15/h4-7H,2-3,8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H13NO4
Molecular Weight	223.2252
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 `Wed Apr 02 19:34:02 GMT 2025` Edited by `admin` on `Wed Apr 02 19:34:02 GMT 2025`
Record UNII	363M63697T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Butyl 4-nitrobenzoate

Systematic Name

English

Butyl p-nitrobenzoate

Preferred Name

English

Benzoic acid, 4-nitro-, butyl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90152643

Created by admin on Wed Apr 02 19:34:02 GMT 2025 , Edited by admin on Wed Apr 02 19:34:02 GMT 2025

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PUBCHEM

67121

Created by admin on Wed Apr 02 19:34:02 GMT 2025 , Edited by admin on Wed Apr 02 19:34:02 GMT 2025

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CAS

120-48-9

Created by admin on Wed Apr 02 19:34:02 GMT 2025 , Edited by admin on Wed Apr 02 19:34:02 GMT 2025

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ECHA (EC/EINECS)

204-400-8

Created by admin on Wed Apr 02 19:34:02 GMT 2025 , Edited by admin on Wed Apr 02 19:34:02 GMT 2025

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FDA UNII

363M63697T

Created by admin on Wed Apr 02 19:34:02 GMT 2025 , Edited by admin on Wed Apr 02 19:34:02 GMT 2025

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