(2-bromanyl-4-cyano-6-ethoxy-phenyl) (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C18H14BrNO5 MolecularWeight: 404.21146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H14BrNO5/c1-2-22-15-8-11(9-20)7-12(19)17(15)25-18(21)16-10-23-13-5-3-4-6-14(13)24-16/h3-8,16H,2,10H2,1H3/t16-/m1/s1