[(1R)-1-cyanoethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [(1R)-1-cyanoethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C13H14BrNO4 MolecularWeight: 328.15856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO4/c1-4-18-11-6-9(5-10(14)12(11)17-3)13(16)19-8(2)7-15/h5-6,8H,4H2,1-3H3/t8-/m1/s1