Ethyl 4-nitrocinnamate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H11NO4
Molecular Weight	221.2093
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 4-nitrocinnamate

Structure Search

SMILES

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

InChI

InChIKey=PFBQVGXIMLXCQB-VMPITWQZSA-N

InChI=1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3/b8-5+

HIDE SMILES / InChI

Molecular Formula	C11H11NO4
Molecular Weight	221.2093
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:46:43 GMT 2025` Edited by `admin` on `Tue Apr 01 17:46:43 GMT 2025`
Record UNII	25TMC6MV4P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-4697

Preferred Name

English

Ethyl 4-nitrocinnamate

Systematic Name

English

Cinnamic acid, p-nitro-, ethyl ester

Systematic Name

English

2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester

Systematic Name

English

AI3-19857

Code

English

Ethyl p-nitrocinnamate

Systematic Name

English

Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester

Systematic Name

English

Code System Code Type Description

NSC

4697

Created by admin on Tue Apr 01 17:46:43 GMT 2025 , Edited by admin on Tue Apr 01 17:46:43 GMT 2025

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PUBCHEM

1268038

Created by admin on Tue Apr 01 17:46:43 GMT 2025 , Edited by admin on Tue Apr 01 17:46:43 GMT 2025

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CAS

953-26-4

Created by admin on Tue Apr 01 17:46:43 GMT 2025 , Edited by admin on Tue Apr 01 17:46:43 GMT 2025

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FDA UNII

25TMC6MV4P

Created by admin on Tue Apr 01 17:46:43 GMT 2025 , Edited by admin on Tue Apr 01 17:46:43 GMT 2025

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EPA CompTox

DTXSID8061347

Created by admin on Tue Apr 01 17:46:43 GMT 2025 , Edited by admin on Tue Apr 01 17:46:43 GMT 2025

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ECHA (EC/EINECS)

213-463-0

Created by admin on Tue Apr 01 17:46:43 GMT 2025 , Edited by admin on Tue Apr 01 17:46:43 GMT 2025

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