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Details

Stereochemistry RACEMIC
Molecular Formula C20H24N2O7
Molecular Weight 404.4138
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAY-R-9425

SMILES

COC(=O)C1=C(C)NC(C)=C(C1C2=CC=CC=C2[N+]([O-])=O)C(=O)OCC(C)(C)O

InChI

InChIKey=MOZPKZYMNVFLSU-UHFFFAOYSA-N
InChI=1S/C20H24N2O7/c1-11-15(18(23)28-5)17(13-8-6-7-9-14(13)22(26)27)16(12(2)21-11)19(24)29-10-20(3,4)25/h6-9,17,21,25H,10H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C20H24N2O7
Molecular Weight 404.4138
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
1E1602DWGD
Record Status Validated (UNII)
Record Version