[4-[[2-(3-fluorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[[2-(3-fluorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[[2-(3-fluorophenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[[2-(3-fluorophenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester IUPAC Name: [4-[[2-(3-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[[2-(3-fluorophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]phenyl] ester Formula: C23H13BrFNO4 MolecularWeight: 466.256023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C2=NC(=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br)C(=O)O2

Isomeric SMILES

C1=CC(=CC(=C1)F)C2=NC(=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br)C(=O)O2

InChI

InChI=1S/C23H13BrFNO4/c24-17-5-1-4-16(12-17)22(27)29-19-9-7-14(8-10-19)11-20-23(28)30-21(26-20)15-3-2-6-18(25)13-15/h1-13H