(2S,4S)-2-[(1R)-2-nitro-1-phenyl-ethyl]-4-oxidanyl-cyclohexan-1-one

Systemtic Name: (2S,4S)-2-[(1R)-2-nitro-1-phenyl-ethyl]-4-oxidanyl-cyclohexan-1-one Openeye Name: (2S,4S)-4-hydroxy-2-[(1R)-2-nitro-1-phenyl-ethyl]cyclohexanone CAS Name: (2S,4S)-4-hydroxy-2-[(1R)-2-nitro-1-phenylethyl]-1-cyclohexanone IUPAC Name: (2S,4S)-4-hydroxy-2-[(1R)-2-nitro-1-phenylethyl]cyclohexan-1-one Traditional Name: (2S,4S)-4-hydroxy-2-[(1R)-2-nitro-1-phenyl-ethyl]cyclohexanone Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(CC1O)C(C[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C1CC(=O)[C@@H](C[C@H]1O)[C@@H](C[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C14H17NO4/c16-11-6-7-14(17)12(8-11)13(9-15(18)19)10-4-2-1-3-5-10/h1-5,11-13,16H,6-9H2/t11-,12-,13-/m0/s1