(2S)-2-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]cyclohexan-1-one

Systemtic Name: (2S)-2-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]cyclohexan-1-one Openeye Name: (2S)-2-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]cyclohexanone CAS Name: (2S)-2-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-1-cyclohexanone IUPAC Name: (2S)-2-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitroethyl]cyclohexan-1-one Traditional Name: (2S)-2-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]cyclohexanone Formula: C15H17NO5 MolecularWeight: 291.29918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(=O)[C@@H](C1)[C@@H](C[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H17NO5/c17-13-4-2-1-3-11(13)12(8-16(18)19)10-5-6-14-15(7-10)21-9-20-14/h5-7,11-12H,1-4,8-9H2/t11-,12-/m0/s1