Butyl 4-nitrobenzoate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

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 `Sat Dec 16 20:20:58 GMT 2023` Edited by `admin` on `Sat Dec 16 20:20:58 GMT 2023`
Record UNII	363M63697T
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Butyl 4-nitrobenzoate

Systematic Name

English

Butyl p-nitrobenzoate

Common Name

English

Benzoic acid, 4-nitro-, butyl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90152643

Created by admin on Sat Dec 16 20:20:58 GMT 2023 , Edited by admin on Sat Dec 16 20:20:58 GMT 2023

PRIMARY

PUBCHEM

67121

Created by admin on Sat Dec 16 20:20:58 GMT 2023 , Edited by admin on Sat Dec 16 20:20:58 GMT 2023

PRIMARY

CAS

120-48-9

Created by admin on Sat Dec 16 20:20:58 GMT 2023 , Edited by admin on Sat Dec 16 20:20:58 GMT 2023

PRIMARY

ECHA (EC/EINECS)

204-400-8

Created by admin on Sat Dec 16 20:20:58 GMT 2023 , Edited by admin on Sat Dec 16 20:20:58 GMT 2023

PRIMARY

FDA UNII

363M63697T

Created by admin on Sat Dec 16 20:20:58 GMT 2023 , Edited by admin on Sat Dec 16 20:20:58 GMT 2023

PRIMARY