(E)-3-(1,3-benzoxazol-2-yl)-4-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2-bromo-5-hydroxy-4-methoxy-phenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2-bromo-5-hydroxy-4-methoxyphenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2-bromo-5-hydroxy-4-methoxy-phenyl)but-3-enoate Formula: C18H13BrNO5- MolecularWeight: 403.20352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3O2)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3O2)O

InChI

InChI=1S/C18H14BrNO5/c1-24-16-9-12(19)10(7-14(16)21)6-11(8-17(22)23)18-20-13-4-2-3-5-15(13)25-18/h2-7,9,21H,8H2,1H3,(H,22,23)/p-1/b11-6+