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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6N2O4
Molecular Weight 170.1228
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)prop-2-enoic acid

SMILES

CC1=[N+]([O-])ON=C1\C=C\C(O)=O

InChI

InChIKey=DPHGZKKIMSDFPU-NSCUHMNNSA-N
InChI=1S/C6H6N2O4/c1-4-5(2-3-6(9)10)7-12-8(4)11/h2-3H,1H3,(H,9,10)/b3-2+

HIDE SMILES / InChI

Molecular Formula C6H6N2O4
Molecular Weight 170.1228
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 13:05:50 GMT 2023
Edited
by admin
on Sat Dec 16 13:05:50 GMT 2023
Record UNII
8AAF44VMC8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)prop-2-enoic acid
Systematic Name English
2-PROPENOIC ACID, 3-(4-METHYL-5-OXIDO-1,2,5-OXADIAZOL-3-YL)-
Systematic Name English
(2E)-3-(4-Methyl-5-oxido-1,2,5-oxadiazol-3-yl)-2-propenoic acid
Systematic Name English
2-Propenoic acid, 3-(methylfurazanyl)-, N-oxide, (E)-
Systematic Name English
NSC-359675
Common Name English
2-Propenoic acid, 3-(4-methyl-5-oxido-1,2,5-oxadiazol-3-yl)-, (2E)-
Systematic Name English
2-Propenoic acid, 3-(4-methyl-5-oxido-1,2,5-oxadiazol-3-yl)-, (E)-
Systematic Name English
2-PROPENOIC ACID, 3-(METHYLFURAZANYL)-, N-OXIDE
Systematic Name English
Code System Code Type Description
CAS
76152-44-8
Created by admin on Sat Dec 16 13:05:50 GMT 2023 , Edited by admin on Sat Dec 16 13:05:50 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
NSC
359675
Created by admin on Sat Dec 16 13:05:50 GMT 2023 , Edited by admin on Sat Dec 16 13:05:50 GMT 2023
PRIMARY
FDA UNII
8AAF44VMC8
Created by admin on Sat Dec 16 13:05:50 GMT 2023 , Edited by admin on Sat Dec 16 13:05:50 GMT 2023
PRIMARY
CAS
73774-51-3
Created by admin on Sat Dec 16 13:05:50 GMT 2023 , Edited by admin on Sat Dec 16 13:05:50 GMT 2023
PRIMARY
PUBCHEM
6078967
Created by admin on Sat Dec 16 13:05:50 GMT 2023 , Edited by admin on Sat Dec 16 13:05:50 GMT 2023
PRIMARY