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Details

Stereochemistry ACHIRAL
Molecular Formula C18H18ClNO5
Molecular Weight 363.792
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 3-carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate

SMILES

CCOC(=O)CC1=C(C(O)=O)C(C)=C(N1C)C(=O)C2=CC=C(Cl)C=C2

InChI

InChIKey=XIUGDICADCHKIA-UHFFFAOYSA-N
InChI=1S/C18H18ClNO5/c1-4-25-14(21)9-13-15(18(23)24)10(2)16(20(13)3)17(22)11-5-7-12(19)8-6-11/h5-8H,4,9H2,1-3H3,(H,23,24)

HIDE SMILES / InChI

Molecular Formula C18H18ClNO5
Molecular Weight 363.792
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 12:39:24 GMT 2023
Edited
by admin
on Sat Dec 16 12:39:24 GMT 2023
Record UNII
FXT4XS8RQN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 3-carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate
Systematic Name English
2-Ethyl 3-carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate
Systematic Name English
1H-Pyrrole-2-acetic acid, 3-carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-, 2-ethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
13341685
Created by admin on Sat Dec 16 12:39:24 GMT 2023 , Edited by admin on Sat Dec 16 12:39:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
251-472-1
Created by admin on Sat Dec 16 12:39:24 GMT 2023 , Edited by admin on Sat Dec 16 12:39:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID50186984
Created by admin on Sat Dec 16 12:39:24 GMT 2023 , Edited by admin on Sat Dec 16 12:39:24 GMT 2023
PRIMARY
CAS
33369-29-8
Created by admin on Sat Dec 16 12:39:24 GMT 2023 , Edited by admin on Sat Dec 16 12:39:24 GMT 2023
PRIMARY
FDA UNII
FXT4XS8RQN
Created by admin on Sat Dec 16 12:39:24 GMT 2023 , Edited by admin on Sat Dec 16 12:39:24 GMT 2023
PRIMARY