Ethyl 3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H19NO4
Molecular Weight	253.2943
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate

Structure Search

SMILES

CCOC(=O)CC1=C(C(=O)OCC)C(C)=CN1C

InChI

InChIKey=YWLMDVDPKZKLNL-UHFFFAOYSA-N

InChI=1S/C13H19NO4/c1-5-17-11(15)7-10-12(13(16)18-6-2)9(3)8-14(10)4/h8H,5-7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C13H19NO4
Molecular Weight	253.2943
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 12:02:38 GMT 2023` Edited by `admin` on `Sat Dec 16 12:02:38 GMT 2023`
Record UNII	C9DH59E4ZA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl 3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate

Systematic Name

English

1H-Pyrrole-2-acetic acid, 3-(ethoxycarbonyl)-1,4-dimethyl-, ethyl ester

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

251-469-5

Created by admin on Sat Dec 16 12:02:38 GMT 2023 , Edited by admin on Sat Dec 16 12:02:38 GMT 2023

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CAS

33369-26-5

Created by admin on Sat Dec 16 12:02:38 GMT 2023 , Edited by admin on Sat Dec 16 12:02:38 GMT 2023

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PUBCHEM

118460

Created by admin on Sat Dec 16 12:02:38 GMT 2023 , Edited by admin on Sat Dec 16 12:02:38 GMT 2023

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FDA UNII

C9DH59E4ZA

Created by admin on Sat Dec 16 12:02:38 GMT 2023 , Edited by admin on Sat Dec 16 12:02:38 GMT 2023

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EPA CompTox

DTXSID70186981

Created by admin on Sat Dec 16 12:02:38 GMT 2023 , Edited by admin on Sat Dec 16 12:02:38 GMT 2023

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