ISOPROPYL 4-(4-NITROPHENYL)BUTYRATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H17NO4
Molecular Weight	251.2784
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOPROPYL 4-(4-NITROPHENYL)BUTYRATE

Structure Search

SMILES

CC(C)OC(=O)CCCC1=CC=C(C=C1)[N+]([O-])=O

InChI

InChIKey=WQUVMYDZSHRUNH-UHFFFAOYSA-N

InChI=1S/C13H17NO4/c1-10(2)18-13(15)5-3-4-11-6-8-12(9-7-11)14(16)17/h6-10H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H17NO4
Molecular Weight	251.2784
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 18:18:18 GMT 2023` Edited by `admin` on `Sat Dec 16 18:18:18 GMT 2023`
Record UNII	VTD4CWH778
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOPROPYL 4-(4-NITROPHENYL)BUTYRATE

Systematic Name

English

1-METHYLETHYL 4-NITROBENZENEBUTANOATE

Systematic Name

English

BENZENEBUTANOIC ACID, 4-NITRO-, 1-METHYLETHYL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

3023402

Created by admin on Sat Dec 16 18:18:18 GMT 2023 , Edited by admin on Sat Dec 16 18:18:18 GMT 2023

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ECHA (EC/EINECS)

301-866-5

Created by admin on Sat Dec 16 18:18:18 GMT 2023 , Edited by admin on Sat Dec 16 18:18:18 GMT 2023

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FDA UNII

VTD4CWH778

Created by admin on Sat Dec 16 18:18:18 GMT 2023 , Edited by admin on Sat Dec 16 18:18:18 GMT 2023

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CAS

94086-76-7

Created by admin on Sat Dec 16 18:18:18 GMT 2023 , Edited by admin on Sat Dec 16 18:18:18 GMT 2023

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EPA CompTox

DTXSID70240395

Created by admin on Sat Dec 16 18:18:18 GMT 2023 , Edited by admin on Sat Dec 16 18:18:18 GMT 2023

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