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Details

Stereochemistry ACHIRAL
Molecular Formula C7H9NO3
Molecular Weight 155.1513
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Cyanoethyl 3-oxobutanoate

SMILES

CC(=O)CC(=O)OCCC#N

InChI

InChIKey=SWJVFAOGXDGTCX-UHFFFAOYSA-N
InChI=1S/C7H9NO3/c1-6(9)5-7(10)11-4-2-3-8/h2,4-5H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-Cyanoethyl 3-oxobutanoate
Systematic Name English
2-Cyanoethyl acetoacetate
Systematic Name English
β-Cyanoethyl acetoacetate
Systematic Name English
3-Bromopropionaldehydedimethylacetal
Systematic Name English
Code System Code Type Description
CAS
65193-87-5
Created by admin on Sat Dec 16 20:10:54 GMT 2023 , Edited by admin on Sat Dec 16 20:10:54 GMT 2023
PRIMARY
PUBCHEM
12360406
Created by admin on Sat Dec 16 20:10:54 GMT 2023 , Edited by admin on Sat Dec 16 20:10:54 GMT 2023
PRIMARY
FDA UNII
9HMM9GC4TW
Created by admin on Sat Dec 16 20:10:54 GMT 2023 , Edited by admin on Sat Dec 16 20:10:54 GMT 2023
PRIMARY
NIH
NCATS
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