3-bromanyl-4-[(2S)-butan-2-yl]oxy-5-methoxy-benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-[(2S)-butan-2-yl]oxy-5-methoxy-benzenecarbonitrile Openeye Name: 3-bromo-5-methoxy-4-[(1S)-1-methylpropoxy]benzonitrile CAS Name: 3-bromo-4-[(2S)-butan-2-yl]oxy-5-methoxybenzonitrile IUPAC Name: 3-bromo-4-[(2S)-butan-2-yl]oxy-5-methoxybenzonitrile Traditional Name: 3-bromo-5-methoxy-4-[(1S)-1-methylpropoxy]benzonitrile Formula: C12H14BrNO2 MolecularWeight: 284.14906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1Br)C#N)OC

Isomeric SMILES

CC[C@H](C)OC1=C(C=C(C=C1Br)C#N)OC

InChI

InChI=1S/C12H14BrNO2/c1-4-8(2)16-12-10(13)5-9(7-14)6-11(12)15-3/h5-6,8H,4H2,1-3H3/t8-/m0/s1