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Details

Stereochemistry RACEMIC
Molecular Formula C18H16ClF3N2O5
Molecular Weight 432.778
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((5-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)-2-NITROPHENYL)AMINO)BUTANOIC ACID METHYL ESTER

SMILES

COC(=O)CC(C)NC1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O

InChI

InChIKey=VPYHVPLEULIXME-UHFFFAOYSA-N
InChI=1S/C18H16ClF3N2O5/c1-10(7-17(25)28-2)23-14-9-12(4-5-15(14)24(26)27)29-16-6-3-11(8-13(16)19)18(20,21)22/h3-6,8-10,23H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H16ClF3N2O5
Molecular Weight 432.778
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:24:28 GMT 2023
Edited
by admin
on Fri Dec 15 17:24:28 GMT 2023
Record UNII
NR1H3Z0G4I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((5-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)-2-NITROPHENYL)AMINO)BUTANOIC ACID METHYL ESTER
Systematic Name English
BUTANOIC ACID, 3-((5-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)-2-NITROPHENYL)AMINO)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80922211
Created by admin on Fri Dec 15 17:24:28 GMT 2023 , Edited by admin on Fri Dec 15 17:24:28 GMT 2023
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CAS
116929-00-1
Created by admin on Fri Dec 15 17:24:28 GMT 2023 , Edited by admin on Fri Dec 15 17:24:28 GMT 2023
PRIMARY
FDA UNII
NR1H3Z0G4I
Created by admin on Fri Dec 15 17:24:28 GMT 2023 , Edited by admin on Fri Dec 15 17:24:28 GMT 2023
PRIMARY
PUBCHEM
189448
Created by admin on Fri Dec 15 17:24:28 GMT 2023 , Edited by admin on Fri Dec 15 17:24:28 GMT 2023
PRIMARY