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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Br)C=C2C(=NOC2=O)C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Br)C=C2C(=NOC2=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H20BrNO4/c1-13(2)12-26-20-17(22)10-14(11-18(20)25-3)9-16-19(23-27-21(16)24)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3