(4R,5S)-5-nitro-4-phenyl-nonan-2-one

Systemtic Name: (4R,5S)-5-nitro-4-phenyl-nonan-2-one Openeye Name: (4R,5S)-5-nitro-4-phenyl-nonan-2-one CAS Name: (4R,5S)-5-nitro-4-phenyl-2-nonanone IUPAC Name: (4R,5S)-5-nitro-4-phenylnonan-2-one Traditional Name: (4R,5S)-5-nitro-4-phenyl-nonan-2-one Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-3-4-10-15(16(18)19)14(11-12(2)17)13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-11H2,1-2H3/t14-,15+/m1/s1