2-[4-(4-fluorophenyl)-5-oxidanylidene-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-2-yl]ethanal

Systemtic Name: 2-[4-(4-fluorophenyl)-5-oxidanylidene-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-2-yl]ethanal Openeye Name: 2-[4-(4-fluorophenyl)-5-oxo-3-(2-phenoxypyrimidin-4-yl)isoxazol-2-yl]acetaldehyde CAS Name: 2-[4-(4-fluorophenyl)-5-oxo-3-(2-phenoxy-4-pyrimidinyl)-2-isoxazolyl]acetaldehyde IUPAC Name: 2-[4-(4-fluorophenyl)-5-oxo-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-2-yl]acetaldehyde Traditional Name: 2-[4-(4-fluorophenyl)-5-keto-3-(2-phenoxypyrimidin-4-yl)-3-isoxazolin-2-yl]acetaldehyde Formula: C21H14FN3O4 MolecularWeight: 391.351963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=NC=CC(=N2)C3=C(C(=O)ON3CC=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=NC=CC(=N2)C3=C(C(=O)ON3CC=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H14FN3O4/c22-15-8-6-14(7-9-15)18-19(25(12-13-26)29-20(18)27)17-10-11-23-21(24-17)28-16-4-2-1-3-5-16/h1-11,13H,12H2