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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C=C2C(=NOC2=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)/C=C\2/C(=NOC2=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H20BrNO4/c1-3-4-10-26-20-17(22)12-14(13-18(20)25-2)11-16-19(23-27-21(16)24)15-8-6-5-7-9-15/h5-9,11-13H,3-4,10H2,1-2H3/b16-11-