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

Systemtic Name: [(1R)-1-cyanoethyl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [(1R)-1-cyanoethyl] 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-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=C(C=C1Br)C(=O)OC(C)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)O[C@H](C)C#N)OC

InChI

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