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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13NO5
Molecular Weight 239.2246
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1,1-Dimethylethyl 3-(5-nitro-2-furanyl)-2-propenoate

SMILES

CC(C)(C)OC(=O)\C=C\C1=CC=C(O1)[N+]([O-])=O

InChI

InChIKey=MBWSTIVJDFXNEZ-FNORWQNLSA-N
InChI=1S/C11H13NO5/c1-11(2,3)17-10(13)7-5-8-4-6-9(16-8)12(14)15/h4-7H,1-3H3/b7-5+

HIDE SMILES / InChI

Molecular Formula C11H13NO5
Molecular Weight 239.2246
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:15:51 GMT 2023
Edited
by admin
on Sat Dec 16 18:15:51 GMT 2023
Record UNII
3NR72L7U7J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1-Dimethylethyl 3-(5-nitro-2-furanyl)-2-propenoate
Systematic Name English
tert-butyl 3-(5-nitrofuran-2-yl)prop-2-enoate
Common Name English
2-Propenoic acid, 3-(5-nitro-2-furanyl)-, 1,1-dimethylethyl ester
Common Name English
1,1-Dimethylethyl (2E)-3-(5-nitro-2-furanyl)-2-propenoate
Systematic Name English
2-Propenoic acid, 3-(5-nitro-2-furanyl)-, 1,1-dimethylethyl ester, (2E)-
Common Name English
Code System Code Type Description
FDA UNII
3NR72L7U7J
Created by admin on Sat Dec 16 18:15:51 GMT 2023 , Edited by admin on Sat Dec 16 18:15:51 GMT 2023
PRIMARY
CAS
97461-39-7
Created by admin on Sat Dec 16 18:15:51 GMT 2023 , Edited by admin on Sat Dec 16 18:15:51 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID50876414
Created by admin on Sat Dec 16 18:15:51 GMT 2023 , Edited by admin on Sat Dec 16 18:15:51 GMT 2023
PRIMARY
CAS
398465-19-5
Created by admin on Sat Dec 16 18:15:51 GMT 2023 , Edited by admin on Sat Dec 16 18:15:51 GMT 2023
PRIMARY
PUBCHEM
6538371
Created by admin on Sat Dec 16 18:15:51 GMT 2023 , Edited by admin on Sat Dec 16 18:15:51 GMT 2023
PRIMARY