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Details

Stereochemistry ACHIRAL
Molecular Formula C12H11NO5
Molecular Weight 249.2194
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of METHYL (E)-2-(2-NITROBENZYLIDENE)-3-OXOBUTANOATE

SMILES

COC(=O)C(=C\C1=CC=CC=C1[N+]([O-])=O)\C(C)=O

InChI

InChIKey=APKKCRAKPMSAEI-JXMROGBWSA-N
InChI=1S/C12H11NO5/c1-8(14)10(12(15)18-2)7-9-5-3-4-6-11(9)13(16)17/h3-7H,1-2H3/b10-7+

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
BUTANOIC ACID, 2-((2-NITROPHENYL)METHYLENE)-3-OXO-, METHYL ESTER, (E)-
Preferred Name English
METHYL (E)-2-(2-NITROBENZYLIDENE)-3-OXOBUTANOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
2259865
Created by admin on Wed Apr 02 09:53:40 GMT 2025 , Edited by admin on Wed Apr 02 09:53:40 GMT 2025
PRIMARY
FDA UNII
CT1ZDT0OJI
Created by admin on Wed Apr 02 09:53:40 GMT 2025 , Edited by admin on Wed Apr 02 09:53:40 GMT 2025
PRIMARY
CAS
39562-27-1
Created by admin on Wed Apr 02 09:53:40 GMT 2025 , Edited by admin on Wed Apr 02 09:53:40 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
CAS
111304-29-1
Created by admin on Wed Apr 02 09:53:40 GMT 2025 , Edited by admin on Wed Apr 02 09:53:40 GMT 2025
PRIMARY
NIH
NCATS
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