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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18N2O4
Molecular Weight 338.3572
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIMOXATONE, (S)-

SMILES

COC[C@@H]1CN(C(=O)O1)C2=CC=C(OCC3=CC=CC(=C3)C#N)C=C2

InChI

InChIKey=MVVJINIUPYKZHR-SFHVURJKSA-N
InChI=1S/C19H18N2O4/c1-23-13-18-11-21(19(22)25-18)16-5-7-17(8-6-16)24-12-15-4-2-3-14(9-15)10-20/h2-9,18H,11-13H2,1H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H18N2O4
Molecular Weight 338.3572
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
FZ5449HJWW
Record Status Validated (UNII)
Record Version