(2S)-2-[(1R)-1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]cyclohexan-1-one

Systemtic Name: (2S)-2-[(1R)-1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]cyclohexan-1-one Openeye Name: (2S)-2-[(1R)-1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]cyclohexanone CAS Name: (2S)-2-[(1R)-1-(3,4-dimethoxyphenyl)-2-nitroethyl]-1-cyclohexanone IUPAC Name: (2S)-2-[(1R)-1-(3,4-dimethoxyphenyl)-2-nitroethyl]cyclohexan-1-one Traditional Name: (2S)-2-[(1R)-1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]cyclohexanone Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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