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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9BrN2O4
Molecular Weight 289.083
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 4-AMINO-3-BROMO-5-NITROBENZOATE

SMILES

CCOC(=O)C1=CC(=C(N)C(Br)=C1)[N+]([O-])=O

InChI

InChIKey=QANVLXVFIRTXFG-UHFFFAOYSA-N
InChI=1S/C9H9BrN2O4/c1-2-16-9(13)5-3-6(10)8(11)7(4-5)12(14)15/h3-4H,2,11H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H9BrN2O4
Molecular Weight 289.083
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 Wed Apr 02 11:18:44 GMT 2025
Edited
by admin
on Wed Apr 02 11:18:44 GMT 2025
Record UNII
H2FKY88FCN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOIC ACID, 4-AMINO-3-BROMO-5-NITRO-, ETHYL ESTER
Preferred Name English
ETHYL 4-AMINO-3-BROMO-5-NITROBENZOATE
Common Name English
Code System Code Type Description
PUBCHEM
3019079
Created by admin on Wed Apr 02 11:18:44 GMT 2025 , Edited by admin on Wed Apr 02 11:18:44 GMT 2025
PRIMARY
CAS
82760-42-7
Created by admin on Wed Apr 02 11:18:44 GMT 2025 , Edited by admin on Wed Apr 02 11:18:44 GMT 2025
PRIMARY
FDA UNII
H2FKY88FCN
Created by admin on Wed Apr 02 11:18:44 GMT 2025 , Edited by admin on Wed Apr 02 11:18:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID201002873
Created by admin on Wed Apr 02 11:18:44 GMT 2025 , Edited by admin on Wed Apr 02 11:18:44 GMT 2025
PRIMARY