(4E)-4-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-1,2-oxazol-5-one

Systemtic Name: (4E)-4-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-1,2-oxazol-5-one Openeye Name: (4E)-4-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-methyl-isoxazol-5-one CAS Name: (4E)-4-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-isoxazolone IUPAC Name: (4E)-4-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one Traditional Name: (4E)-4-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-3-methyl-2-isoxazolin-5-one Formula: C15H12BrNO4 MolecularWeight: 350.16408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=O)C1=CC2=CC(=C(C(=C2)Br)OCC#C)OC

Isomeric SMILES

CC\1=NOC(=O)/C1=C/C2=CC(=C(C(=C2)Br)OCC#C)OC

InChI

InChI=1S/C15H12BrNO4/c1-4-5-20-14-12(16)7-10(8-13(14)19-3)6-11-9(2)17-21-15(11)18/h1,6-8H,5H2,2-3H3/b11-6+