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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H13ClF4N2O3
Molecular Weight 416.754
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-23

SMILES

C[C@](O)(COC1=CC=C(Cl)C(F)=C1)C(=O)NC2=CC=C(C#N)C(=C2)C(F)(F)F

InChI

InChIKey=SSFVOEAXHZGTRJ-KRWDZBQOSA-N
InChI=1S/C18H13ClF4N2O3/c1-17(27,9-28-12-4-5-14(19)15(20)7-12)16(26)25-11-3-2-10(8-24)13(6-11)18(21,22)23/h2-7,27H,9H2,1H3,(H,25,26)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H13ClF4N2O3
Molecular Weight 416.754
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
XDK89456WM
Record Status Validated (UNII)
Record Version