3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H14ClNO5
Molecular Weight	335.739
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid

Structure Search

SMILES

CN1C(CC(O)=O)=C(C(O)=O)C(C)=C1C(=O)C2=CC=C(Cl)C=C2

InChI

InChIKey=DPCBHULRLBCPAE-UHFFFAOYSA-N

InChI=1S/C16H14ClNO5/c1-8-13(16(22)23)11(7-12(19)20)18(2)14(8)15(21)9-3-5-10(17)6-4-9/h3-6H,7H2,1-2H3,(H,19,20)(H,22,23)

HIDE SMILES / InChI

Molecular Formula	C16H14ClNO5
Molecular Weight	335.739
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 16:54:44 GMT 2025` Edited by `admin` on `Tue Apr 01 16:54:44 GMT 2025`
Record UNII	K76FYR5L3U
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1H-Pyrrole-2-acetic acid, 3-carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-

Preferred Name

English

3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

118462

Created by admin on Tue Apr 01 16:54:44 GMT 2025 , Edited by admin on Tue Apr 01 16:54:44 GMT 2025

PRIMARY

CAS

33369-28-7

Created by admin on Tue Apr 01 16:54:44 GMT 2025 , Edited by admin on Tue Apr 01 16:54:44 GMT 2025

PRIMARY

ECHA (EC/EINECS)

251-471-6

Created by admin on Tue Apr 01 16:54:44 GMT 2025 , Edited by admin on Tue Apr 01 16:54:44 GMT 2025

PRIMARY

FDA UNII

K76FYR5L3U

Created by admin on Tue Apr 01 16:54:44 GMT 2025 , Edited by admin on Tue Apr 01 16:54:44 GMT 2025

PRIMARY

EPA CompTox

DTXSID90186983

Created by admin on Tue Apr 01 16:54:44 GMT 2025 , Edited by admin on Tue Apr 01 16:54:44 GMT 2025

PRIMARY