(5R,6R)-6-nitro-5-phenyl-heptane-2,3-dione

Systemtic Name: (5R,6R)-6-nitro-5-phenyl-heptane-2,3-dione Openeye Name: (5R,6R)-6-nitro-5-phenyl-heptane-2,3-dione CAS Name: (5R,6R)-6-nitro-5-phenylheptane-2,3-dione IUPAC Name: (5R,6R)-6-nitro-5-phenylheptane-2,3-dione Traditional Name: (5R,6R)-6-nitro-5-phenyl-heptane-2,3-dione Formula: C13H15NO4 MolecularWeight: 249.2625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-9(14(17)18)12(8-13(16)10(2)15)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3/t9-,12+/m1/s1