(1R,2R)-2-methyl-1-(4-nitrophenyl)-1-oxidanyl-octan-3-one

Systemtic Name: (1R,2R)-2-methyl-1-(4-nitrophenyl)-1-oxidanyl-octan-3-one Openeye Name: (1R,2R)-1-hydroxy-2-methyl-1-(4-nitrophenyl)octan-3-one CAS Name: (1R,2R)-1-hydroxy-2-methyl-1-(4-nitrophenyl)-3-octanone IUPAC Name: (1R,2R)-1-hydroxy-2-methyl-1-(4-nitrophenyl)octan-3-one Traditional Name: (1R,2R)-1-hydroxy-2-methyl-1-(4-nitrophenyl)octan-3-one Formula: C15H21NO4 MolecularWeight: 279.33154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-3-4-5-6-14(17)11(2)15(18)12-7-9-13(10-8-12)16(19)20/h7-11,15,18H,3-6H2,1-2H3/t11-,15+/m0/s1