2-[4-[(E)-[(3S)-3-methyl-2-oxidanylidene-cyclohexylidene]methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-[(3S)-3-methyl-2-oxidanylidene-cyclohexylidene]methyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-[(3S)-3-methyl-2-oxo-cyclohexylidene]methyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-[(3S)-2-keto-3-methyl-cyclohexylidene]methyl]phenoxy]acetonitrile Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CC2=CC=C(C=C2)OCC#N)C1=O

Isomeric SMILES

C[C@H]1CCC/C(=C\C2=CC=C(C=C2)OCC#N)/C1=O

InChI

InChI=1S/C16H17NO2/c1-12-3-2-4-14(16(12)18)11-13-5-7-15(8-6-13)19-10-9-17/h5-8,11-12H,2-4,10H2,1H3/b14-11+/t12-/m0/s1