(5R,6R)-2,2-diethoxy-6-nitro-5-phenyl-heptan-3-one

Systemtic Name: (5R,6R)-2,2-diethoxy-6-nitro-5-phenyl-heptan-3-one Openeye Name: (5R,6R)-2,2-diethoxy-6-nitro-5-phenyl-heptan-3-one CAS Name: (5R,6R)-2,2-diethoxy-6-nitro-5-phenyl-3-heptanone IUPAC Name: (5R,6R)-2,2-diethoxy-6-nitro-5-phenylheptan-3-one Traditional Name: (5R,6R)-2,2-diethoxy-6-nitro-5-phenyl-heptan-3-one Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5/c1-5-22-17(4,23-6-2)16(19)12-15(13(3)18(20)21)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3/t13-,15+/m1/s1