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

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(5-bromanyl-2-prop-2-ynoxy-phenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(5-bromo-2-prop-2-ynoxy-phenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(5-bromo-2-prop-2-ynoxyphenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(5-bromo-2-prop-2-ynoxyphenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(5-bromo-2-propargyloxy-phenyl)but-3-enoate Formula: C20H13BrNO4- MolecularWeight: 411.22552

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)Br)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3O2

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)Br)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H14BrNO4/c1-2-9-25-17-8-7-15(21)11-13(17)10-14(12-19(23)24)20-22-16-5-3-4-6-18(16)26-20/h1,3-8,10-11H,9,12H2,(H,23,24)/p-1/b14-10+