(4S,5R)-4-methyl-6-nitro-5-(3-nitrophenyl)hexan-3-one

Systemtic Name: (4S,5R)-4-methyl-6-nitro-5-(3-nitrophenyl)hexan-3-one Openeye Name: (4S,5R)-4-methyl-6-nitro-5-(3-nitrophenyl)hexan-3-one CAS Name: (4S,5R)-4-methyl-6-nitro-5-(3-nitrophenyl)-3-hexanone IUPAC Name: (4S,5R)-4-methyl-6-nitro-5-(3-nitrophenyl)hexan-3-one Traditional Name: (4S,5R)-4-methyl-6-nitro-5-(3-nitrophenyl)hexan-3-one Formula: C13H16N2O5 MolecularWeight: 280.27654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-3-13(16)9(2)12(8-14(17)18)10-5-4-6-11(7-10)15(19)20/h4-7,9,12H,3,8H2,1-2H3/t9-,12+/m0/s1