2-[(6S)-6-(2-bromanyl-3-methanoyl-6-methoxy-phenoxy)cyclohexen-1-yl]ethanenitrile

Systemtic Name: 2-[(6S)-6-(2-bromanyl-3-methanoyl-6-methoxy-phenoxy)cyclohexen-1-yl]ethanenitrile Openeye Name: 2-[(6S)-6-(2-bromo-3-formyl-6-methoxy-phenoxy)cyclohexen-1-yl]acetonitrile CAS Name: 2-[(6S)-6-(2-bromo-3-formyl-6-methoxyphenoxy)-1-cyclohexenyl]acetonitrile IUPAC Name: 2-[(6S)-6-(2-bromo-3-formyl-6-methoxyphenoxy)cyclohexen-1-yl]acetonitrile Traditional Name: 2-[(6S)-6-(2-bromo-3-formyl-6-methoxy-phenoxy)cyclohexen-1-yl]acetonitrile Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=O)Br)OC2CCCC=C2CC#N

Isomeric SMILES

COC1=C(C(=C(C=C1)C=O)Br)O[C@H]2CCCC=C2CC#N

InChI

InChI=1S/C16H16BrNO3/c1-20-14-7-6-12(10-19)15(17)16(14)21-13-5-3-2-4-11(13)8-9-18/h4,6-7,10,13H,2-3,5,8H2,1H3/t13-/m0/s1