4-[(1R)-2-nitro-1-[(1S)-2-oxidanylidenecyclohexyl]ethyl]benzenecarbonitrile

Systemtic Name: 4-[(1R)-2-nitro-1-[(1S)-2-oxidanylidenecyclohexyl]ethyl]benzenecarbonitrile Openeye Name: 4-[(1R)-2-nitro-1-[(1S)-2-oxocyclohexyl]ethyl]benzonitrile CAS Name: 4-[(1R)-2-nitro-1-[(1S)-2-oxocyclohexyl]ethyl]benzonitrile IUPAC Name: 4-[(1R)-2-nitro-1-[(1S)-2-oxocyclohexyl]ethyl]benzonitrile Traditional Name: 4-[(1R)-1-[(1S)-2-ketocyclohexyl]-2-nitro-ethyl]benzonitrile Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(C[N+](=O)[O-])C2=CC=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3/c16-9-11-5-7-12(8-6-11)14(10-17(19)20)13-3-1-2-4-15(13)18/h5-8,13-14H,1-4,10H2/t13-,14-/m0/s1