3-[(2S)-1-nitro-4-phenyl-butan-2-yl]pentane-2,4-dione

Systemtic Name: 3-[(2S)-1-nitro-4-phenyl-butan-2-yl]pentane-2,4-dione Openeye Name: 3-[(1S)-1-(nitromethyl)-3-phenyl-propyl]pentane-2,4-dione CAS Name: 3-[(2S)-1-nitro-4-phenylbutan-2-yl]pentane-2,4-dione IUPAC Name: 3-[(2S)-1-nitro-4-phenylbutan-2-yl]pentane-2,4-dione Traditional Name: 3-[(1S)-1-(nitromethyl)-3-phenyl-propyl]pentane-2,4-dione Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(CCC1=CC=CC=C1)C[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(=O)C([C@H](CCC1=CC=CC=C1)C[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C15H19NO4/c1-11(17)15(12(2)18)14(10-16(19)20)9-8-13-6-4-3-5-7-13/h3-7,14-15H,8-10H2,1-2H3/t14-/m1/s1