(E)-3-[3-bromanyl-5-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-bromanyl-5-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-4-(isoxazol-5-ylmethoxy)-5-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-bromo-4-(5-isoxazolylmethoxy)-5-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-5-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-bromo-4-(isoxazol-5-ylmethoxy)-5-methoxy-phenyl]acrylic acid Formula: C14H12BrNO5 MolecularWeight: 354.15278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)Br)OCC2=CC=NO2

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)OCC2=CC=NO2

InChI

InChI=1S/C14H12BrNO5/c1-19-12-7-9(2-3-13(17)18)6-11(15)14(12)20-8-10-4-5-16-21-10/h2-7H,8H2,1H3,(H,17,18)/b3-2+