ETHYL 4-((1-OXOALLYL)AMINO)BENZOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H13NO3
Molecular Weight	219.2365
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYL 4-((1-OXOALLYL)AMINO)BENZOATE

Structure Search

SMILES

CCOC(=O)C1=CC=C(NC(=O)C=C)C=C1

InChI

InChIKey=WPLURKJQMNROKG-UHFFFAOYSA-N

InChI=1S/C12H13NO3/c1-3-11(14)13-10-7-5-9(6-8-10)12(15)16-4-2/h3,5-8H,1,4H2,2H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula	C12H13NO3
Molecular Weight	219.2365
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 `Tue Apr 01 18:49:57 GMT 2025` Edited by `admin` on `Tue Apr 01 18:49:57 GMT 2025`
Record UNII	JW9AHS6ZAM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHYL 4-((1-OXOALLYL)AMINO)BENZOATE

Systematic Name

English

BENZOIC ACID, 4-((1-OXO-2-PROPEN-1-YL)AMINO)-, ETHYL ESTER

Preferred Name

English

ETHYL 4-(PROP-2-ENOYLAMINO)BENZOATE

Systematic Name

English

ETHYL 4-((1-OXO-2-PROPEN-1-YL)AMINO)BENZOATE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

238-807-7

Created by admin on Tue Apr 01 18:49:57 GMT 2025 , Edited by admin on Tue Apr 01 18:49:57 GMT 2025

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EPA CompTox

DTXSID20163722

Created by admin on Tue Apr 01 18:49:57 GMT 2025 , Edited by admin on Tue Apr 01 18:49:57 GMT 2025

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CAS

14745-58-5

Created by admin on Tue Apr 01 18:49:57 GMT 2025 , Edited by admin on Tue Apr 01 18:49:57 GMT 2025

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PUBCHEM

84618

Created by admin on Tue Apr 01 18:49:57 GMT 2025 , Edited by admin on Tue Apr 01 18:49:57 GMT 2025

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FDA UNII

JW9AHS6ZAM

Created by admin on Tue Apr 01 18:49:57 GMT 2025 , Edited by admin on Tue Apr 01 18:49:57 GMT 2025

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