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Details

Stereochemistry ACHIRAL
Molecular Formula C19H15NO8
Molecular Weight 385.3243
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(2-(NITROOXY)ETHOXY)-4-OXO-2-PHENYL-4H-CHROMEN-5-YL ACETATE

SMILES

CC(=O)OC1=CC(OCCO[N+]([O-])=O)=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3

InChI

InChIKey=VQDIDXYXZUUTEY-UHFFFAOYSA-N
InChI=1S/C19H15NO8/c1-12(21)27-17-9-14(25-7-8-26-20(23)24)10-18-19(17)15(22)11-16(28-18)13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C19H15NO8
Molecular Weight 385.3243
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:35:06 GMT 2023
Edited
by admin
on Sat Dec 16 16:35:06 GMT 2023
Record UNII
ND31Q9NK8I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(2-(NITROOXY)ETHOXY)-4-OXO-2-PHENYL-4H-CHROMEN-5-YL ACETATE
Systematic Name English
(7-(2-NITROOXYETHOXY)-4-OXIDANYLIDENE-2-PHENYL-CHROMEN-5-YL) ETHANOATE
Systematic Name English
(7-(2-NITROOXYETHOXY)-4-OXO-2-PHENYLCHROMEN-5-YL)ACETATE
Systematic Name English
4H-1-BENZOPYRAN-4-ONE, 5-(ACETYLOXY)-7-(2-(NITROOXY)ETHOXY)-2-PHENYL-
Systematic Name English
Code System Code Type Description
FDA UNII
ND31Q9NK8I
Created by admin on Sat Dec 16 16:35:06 GMT 2023 , Edited by admin on Sat Dec 16 16:35:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID50677009
Created by admin on Sat Dec 16 16:35:06 GMT 2023 , Edited by admin on Sat Dec 16 16:35:06 GMT 2023
PRIMARY
PUBCHEM
46887248
Created by admin on Sat Dec 16 16:35:06 GMT 2023 , Edited by admin on Sat Dec 16 16:35:06 GMT 2023
PRIMARY
CAS
1227681-47-1
Created by admin on Sat Dec 16 16:35:06 GMT 2023 , Edited by admin on Sat Dec 16 16:35:06 GMT 2023
PRIMARY