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

Systemtic Name: (4S,5S)-4-methyl-6-nitro-5-phenyl-hexan-3-one Openeye Name: (4S,5S)-4-methyl-6-nitro-5-phenyl-hexan-3-one CAS Name: (4S,5S)-4-methyl-6-nitro-5-phenyl-3-hexanone IUPAC Name: (4S,5S)-4-methyl-6-nitro-5-phenylhexan-3-one Traditional Name: (4S,5S)-4-methyl-6-nitro-5-phenyl-hexan-3-one Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-3-13(15)10(2)12(9-14(16)17)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/t10-,12-/m0/s1