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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13NO4
Molecular Weight 223.2252
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2-NITROPHENYL)METHYLBUTANOATE

SMILES

CCCC(=O)OCC1=CC=CC=C1[N+]([O-])=O

InChI

InChIKey=ATOYSNPMELKUBW-UHFFFAOYSA-N
InChI=1S/C11H13NO4/c1-2-5-11(13)16-8-9-6-3-4-7-10(9)12(14)15/h3-4,6-7H,2,5,8H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
O-NITROBENZYL BUTYRATE
Preferred Name English
(2-NITROPHENYL)METHYLBUTANOATE
Systematic Name English
BUTANOIC ACID, (2-NITROPHENYL)METHYL ESTER
Systematic Name English
2-NITROBENZYL BUTANOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
154207
Created by admin on Mon Mar 31 21:44:20 GMT 2025 , Edited by admin on Mon Mar 31 21:44:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID20152631
Created by admin on Mon Mar 31 21:44:20 GMT 2025 , Edited by admin on Mon Mar 31 21:44:20 GMT 2025
PRIMARY
CAS
119979-38-3
Created by admin on Mon Mar 31 21:44:20 GMT 2025 , Edited by admin on Mon Mar 31 21:44:20 GMT 2025
PRIMARY
FDA UNII
DZ3ZRQ76DL
Created by admin on Mon Mar 31 21:44:20 GMT 2025 , Edited by admin on Mon Mar 31 21:44:20 GMT 2025
PRIMARY
NIH
NCATS
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