(4Z)-4-[(5-bromanyl-2-methoxy-phenyl)methylidene]-2-(4-butoxyphenyl)-1,3-oxazol-5-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=CC3=C(C=CC(=C3)Br)OC)C(=O)O2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=N/C(=C\C3=C(C=CC(=C3)Br)OC)/C(=O)O2

InChI

InChI=1S/C21H20BrNO4/c1-3-4-11-26-17-8-5-14(6-9-17)20-23-18(21(24)27-20)13-15-12-16(22)7-10-19(15)25-2/h5-10,12-13H,3-4,11H2,1-2H3/b18-13-