(2S,6R)-2-(1,3-benzodioxol-5-yl)-6-(2-nitroethyl)cyclohexan-1-one

Systemtic Name: (2S,6R)-2-(1,3-benzodioxol-5-yl)-6-(2-nitroethyl)cyclohexan-1-one Openeye Name: (2S,6R)-2-(1,3-benzodioxol-5-yl)-6-(2-nitroethyl)cyclohexanone CAS Name: (2S,6R)-2-(1,3-benzodioxol-5-yl)-6-(2-nitroethyl)-1-cyclohexanone IUPAC Name: (2S,6R)-2-(1,3-benzodioxol-5-yl)-6-(2-nitroethyl)cyclohexan-1-one Traditional Name: (2S,6R)-2-(1,3-benzodioxol-5-yl)-6-(2-nitroethyl)cyclohexanone Formula: C15H17NO5 MolecularWeight: 291.29918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(C1)C2=CC3=C(C=C2)OCO3)CC[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](C(=O)[C@@H](C1)C2=CC3=C(C=C2)OCO3)CC[N+](=O)[O-]

InChI

InChI=1S/C15H17NO5/c17-15-10(6-7-16(18)19)2-1-3-12(15)11-4-5-13-14(8-11)21-9-20-13/h4-5,8,10,12H,1-3,6-7,9H2/t10-,12+/m1/s1