(5S)-2,6-dimethyl-6-nitro-5-phenyl-heptan-3-one

Systemtic Name: (5S)-2,6-dimethyl-6-nitro-5-phenyl-heptan-3-one Openeye Name: (5S)-2,6-dimethyl-6-nitro-5-phenyl-heptan-3-one CAS Name: (5S)-2,6-dimethyl-6-nitro-5-phenyl-3-heptanone IUPAC Name: (5S)-2,6-dimethyl-6-nitro-5-phenylheptan-3-one Traditional Name: (5S)-2,6-dimethyl-6-nitro-5-phenyl-heptan-3-one Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-11(2)14(17)10-13(15(3,4)16(18)19)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t13-/m0/s1