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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12BrNO4
Molecular Weight 302.121
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-(ACETYLAMINO)-5-BROMO-O-ANISATE

SMILES

COC(=O)C1=CC(Br)=C(NC(C)=O)C=C1OC

InChI

InChIKey=FCOKFEDHOPDIEH-UHFFFAOYSA-N
InChI=1S/C11H12BrNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C11H12BrNO4
Molecular Weight 302.121
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 17:42:36 GMT 2025
Edited
by admin
on Tue Apr 01 17:42:36 GMT 2025
Record UNII
B9C6XT298B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 4-(ACETYLAMINO)-5-BROMO-2-METHOXYBENZOATE
Preferred Name English
METHYL 4-(ACETYLAMINO)-5-BROMO-O-ANISATE
Systematic Name English
METHYL 4-ACETAMIDO-5-BROMO-2-METHOXYBENZOATE
Systematic Name English
O-ANISIC ACID, 4-ACETAMIDO-5-BROMO-, METHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
B9C6XT298B
Created by admin on Tue Apr 01 17:42:36 GMT 2025 , Edited by admin on Tue Apr 01 17:42:36 GMT 2025
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CAS
4093-34-9
Created by admin on Tue Apr 01 17:42:36 GMT 2025 , Edited by admin on Tue Apr 01 17:42:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID90193935
Created by admin on Tue Apr 01 17:42:36 GMT 2025 , Edited by admin on Tue Apr 01 17:42:36 GMT 2025
PRIMARY
ECHA (EC/EINECS)
223-841-7
Created by admin on Tue Apr 01 17:42:36 GMT 2025 , Edited by admin on Tue Apr 01 17:42:36 GMT 2025
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PUBCHEM
77722
Created by admin on Tue Apr 01 17:42:36 GMT 2025 , Edited by admin on Tue Apr 01 17:42:36 GMT 2025
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