(3R)-3-[3-[(2R)-3-cyanobut-3-en-2-yl]oxy-2-iodanyl-phenoxy]-2-methylidene-butanenitrile

Systemtic Name: (3R)-3-[3-[(2R)-3-cyanobut-3-en-2-yl]oxy-2-iodanyl-phenoxy]-2-methylidene-butanenitrile Openeye Name: (3R)-3-[3-[(1R)-2-cyano-1-methyl-allyloxy]-2-iodo-phenoxy]-2-methylene-butanenitrile CAS Name: (3R)-3-[3-[(2R)-3-cyanobut-3-en-2-yl]oxy-2-iodophenoxy]-2-methylenebutanenitrile IUPAC Name: (3R)-3-[3-[(2R)-3-cyanobut-3-en-2-yl]oxy-2-iodophenoxy]-2-methylidenebutanenitrile Traditional Name: 2-[(1R)-1-[3-[(1R)-2-cyano-1-methyl-allyloxy]-2-iodo-phenoxy]ethyl]acrylonitrile Formula: C16H15IN2O2 MolecularWeight: 394.20697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C)C#N)OC1=C(C(=CC=C1)OC(C)C(=C)C#N)I

Isomeric SMILES

C[C@H](C(=C)C#N)OC1=C(C(=CC=C1)O[C@H](C)C(=C)C#N)I

InChI

InChI=1S/C16H15IN2O2/c1-10(8-18)12(3)20-14-6-5-7-15(16(14)17)21-13(4)11(2)9-19/h5-7,12-13H,1-2H2,3-4H3/t12-,13-/m1/s1