U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H14N2O6
Molecular Weight 282.2494
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 5-(acetylamino)-4-ethoxy-2-nitrobenzoate

SMILES

CCOC1=CC(=C(C=C1NC(C)=O)C(=O)OC)[N+]([O-])=O

InChI

InChIKey=SUNFXTJKUZVRCZ-UHFFFAOYSA-N
InChI=1S/C12H14N2O6/c1-4-20-11-6-10(14(17)18)8(12(16)19-3)5-9(11)13-7(2)15/h5-6H,4H2,1-3H3,(H,13,15)

HIDE SMILES / InChI

Molecular Formula C12H14N2O6
Molecular Weight 282.2494
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 19:03:51 GMT 2023
Edited
by admin
on Sat Dec 16 19:03:51 GMT 2023
Record UNII
EQL9K9ZMW8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 5-(acetylamino)-4-ethoxy-2-nitrobenzoate
Systematic Name English
Benzoic acid, 5-(acetylamino)-4-ethoxy-2-nitro-, methyl ester
Systematic Name English
Code System Code Type Description
CAS
1201080-23-0
Created by admin on Sat Dec 16 19:03:51 GMT 2023 , Edited by admin on Sat Dec 16 19:03:51 GMT 2023
PRIMARY
FDA UNII
EQL9K9ZMW8
Created by admin on Sat Dec 16 19:03:51 GMT 2023 , Edited by admin on Sat Dec 16 19:03:51 GMT 2023
PRIMARY
PUBCHEM
56605081
Created by admin on Sat Dec 16 19:03:51 GMT 2023 , Edited by admin on Sat Dec 16 19:03:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID60717920
Created by admin on Sat Dec 16 19:03:51 GMT 2023 , Edited by admin on Sat Dec 16 19:03:51 GMT 2023
PRIMARY