4-[(E)-[(3R)-3-tert-butyl-2-oxidanylidene-cyclohexylidene]methyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-[(3R)-3-tert-butyl-2-oxidanylidene-cyclohexylidene]methyl]benzenecarbonitrile Openeye Name: 4-[(E)-[(3R)-3-tert-butyl-2-oxo-cyclohexylidene]methyl]benzonitrile CAS Name: 4-[(E)-[(3R)-3-tert-butyl-2-oxocyclohexylidene]methyl]benzonitrile IUPAC Name: 4-[(E)-[(3R)-3-tert-butyl-2-oxocyclohexylidene]methyl]benzonitrile Traditional Name: 4-[(E)-[(3R)-3-tert-butyl-2-keto-cyclohexylidene]methyl]benzonitrile Formula: C18H21NO MolecularWeight: 267.36544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCCC(=CC2=CC=C(C=C2)C#N)C1=O

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO/c1-18(2,3)16-6-4-5-15(17(16)20)11-13-7-9-14(12-19)10-8-13/h7-11,16H,4-6H2,1-3H3/b15-11+/t16-/m0/s1