[2-[2,6-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: [2-[2,6-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: [2-(2,6-difluorophenyl)-2-oxo-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid [2-(2,6-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-difluorophenyl)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid [2-(2,6-difluorophenyl)-2-keto-ethyl] ester Formula: C22H13F2NO4 MolecularWeight: 393.339726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C22H13F2NO4/c23-16-7-4-8-17(24)20(16)19(26)12-28-22(27)14-9-10-18-15(11-14)21(29-25-18)13-5-2-1-3-6-13/h1-11H,12H2