[(1S)-2-oxidanylidenecyclohexyl] 3-cyanobenzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-cyanobenzoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H13NO3/c15-9-10-4-3-5-11(8-10)14(17)18-13-7-2-1-6-12(13)16/h3-5,8,13H,1-2,6-7H2/t13-/m0/s1