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

Systemtic Name: (5S,6R)-2,2-dimethyl-6-nitro-5-phenyl-octan-3-one Openeye Name: (5S,6R)-2,2-dimethyl-6-nitro-5-phenyl-octan-3-one CAS Name: (5S,6R)-2,2-dimethyl-6-nitro-5-phenyl-3-octanone IUPAC Name: (5S,6R)-2,2-dimethyl-6-nitro-5-phenyloctan-3-one Traditional Name: (5S,6R)-2,2-dimethyl-6-nitro-5-phenyl-octan-3-one Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-5-14(17(19)20)13(11-15(18)16(2,3)4)12-9-7-6-8-10-12/h6-10,13-14H,5,11H2,1-4H3/t13-,14+/m0/s1