(2S)-2-[(2S)-1-nitro-4-phenyl-butan-2-yl]cyclohexan-1-one

Systemtic Name: (2S)-2-[(2S)-1-nitro-4-phenyl-butan-2-yl]cyclohexan-1-one Openeye Name: (2S)-2-[(1S)-1-(nitromethyl)-3-phenyl-propyl]cyclohexanone CAS Name: (2S)-2-[(2S)-1-nitro-4-phenylbutan-2-yl]-1-cyclohexanone IUPAC Name: (2S)-2-[(2S)-1-nitro-4-phenylbutan-2-yl]cyclohexan-1-one Traditional Name: (2S)-2-[(1S)-1-(nitromethyl)-3-phenyl-propyl]cyclohexanone Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(CCC2=CC=CC=C2)C[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@@H](C1)[C@H](CCC2=CC=CC=C2)C[N+](=O)[O-]

InChI

InChI=1S/C16H21NO3/c18-16-9-5-4-8-15(16)14(12-17(19)20)11-10-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15+/m1/s1