(2S)-2-[(1R)-1-(2,5-dimethoxyphenyl)-2-nitro-ethyl]cyclohexan-1-one

Systemtic Name: (2S)-2-[(1R)-1-(2,5-dimethoxyphenyl)-2-nitro-ethyl]cyclohexan-1-one Openeye Name: (2S)-2-[(1R)-1-(2,5-dimethoxyphenyl)-2-nitro-ethyl]cyclohexanone CAS Name: (2S)-2-[(1R)-1-(2,5-dimethoxyphenyl)-2-nitroethyl]-1-cyclohexanone IUPAC Name: (2S)-2-[(1R)-1-(2,5-dimethoxyphenyl)-2-nitroethyl]cyclohexan-1-one Traditional Name: (2S)-2-[(1R)-1-(2,5-dimethoxyphenyl)-2-nitro-ethyl]cyclohexanone Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C[N+](=O)[O-])C2CCCCC2=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H](C[N+](=O)[O-])[C@@H]2CCCCC2=O

InChI

InChI=1S/C16H21NO5/c1-21-11-7-8-16(22-2)13(9-11)14(10-17(19)20)12-5-3-4-6-15(12)18/h7-9,12,14H,3-6,10H2,1-2H3/t12-,14+/m0/s1