2-(4-bromophenyl)-4-[(4-butoxy-3-methoxy-phenyl)methylidene]-1,3-oxazol-5-one

Systemtic Name: 2-(4-bromophenyl)-4-[(4-butoxy-3-methoxy-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: 2-(4-bromophenyl)-4-[(4-butoxy-3-methoxy-phenyl)methylene]oxazol-5-one CAS Name: 2-(4-bromophenyl)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-5-oxazolone IUPAC Name: 2-(4-bromophenyl)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: 2-(4-bromophenyl)-4-(4-butoxy-3-methoxy-benzylidene)-2-oxazolin-5-one Formula: C21H20BrNO4 MolecularWeight: 430.2918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H20BrNO4/c1-3-4-11-26-18-10-5-14(13-19(18)25-2)12-17-21(24)27-20(23-17)15-6-8-16(22)9-7-15/h5-10,12-13H,3-4,11H2,1-2H3