[4-[[2-(4-bromophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-2-ethoxy-phenyl] butanoate

Systemtic Name: [4-[[2-(4-bromophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-2-ethoxy-phenyl] butanoate Openeye Name: [4-[[2-(4-bromophenyl)-5-oxo-oxazol-4-ylidene]methyl]-2-ethoxy-phenyl] butanoate CAS Name: butanoic acid [4-[[2-(4-bromophenyl)-5-oxo-4-oxazolylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-ethoxyphenyl] butanoate Traditional Name: butyric acid [4-[[2-(4-bromophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]-2-ethoxy-phenyl] ester Formula: C22H20BrNO5 MolecularWeight: 458.3019

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Br)OCC

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Br)OCC

InChI

InChI=1S/C22H20BrNO5/c1-3-5-20(25)28-18-11-6-14(13-19(18)27-4-2)12-17-22(26)29-21(24-17)15-7-9-16(23)10-8-15/h6-13H,3-5H2,1-2H3