4-[(E)-[2-(4-bromophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoate

Systemtic Name: 4-[(E)-[2-(4-bromophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoate Openeye Name: 4-[(E)-[2-(4-bromophenyl)-5-oxo-oxazol-4-ylidene]methyl]benzoate CAS Name: 4-[(E)-[2-(4-bromophenyl)-5-oxo-4-oxazolylidene]methyl]benzoate IUPAC Name: 4-[(E)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate Traditional Name: 4-[(E)-[2-(4-bromophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]benzoate Formula: C17H9BrNO4- MolecularWeight: 371.16166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/2\C(=O)OC(=N2)C3=CC=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C17H10BrNO4/c18-13-7-5-11(6-8-13)15-19-14(17(22)23-15)9-10-1-3-12(4-2-10)16(20)21/h1-9H,(H,20,21)/p-1/b14-9+