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

Systemtic Name: (4E)-4-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-1,2-oxazol-5-one Openeye Name: (4E)-4-[(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-3-methyl-isoxazol-5-one CAS Name: (4E)-4-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-isoxazolone IUPAC Name: (4E)-4-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one Traditional Name: (4E)-4-(3-bromo-5-ethoxy-4-propargyloxy-benzylidene)-3-methyl-2-isoxazolin-5-one Formula: C16H14BrNO4 MolecularWeight: 364.19066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NOC2=O)C)Br)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=NOC2=O)C)Br)OCC#C

InChI

InChI=1S/C16H14BrNO4/c1-4-6-21-15-13(17)8-11(9-14(15)20-5-2)7-12-10(3)18-22-16(12)19/h1,7-9H,5-6H2,2-3H3/b12-7+