3-[(1R)-2-nitro-1-phenyl-ethyl]pentane-2,4-dione

Systemtic Name: 3-[(1R)-2-nitro-1-phenyl-ethyl]pentane-2,4-dione Openeye Name: 3-[(1R)-2-nitro-1-phenyl-ethyl]pentane-2,4-dione CAS Name: 3-[(1R)-2-nitro-1-phenylethyl]pentane-2,4-dione IUPAC Name: 3-[(1R)-2-nitro-1-phenylethyl]pentane-2,4-dione Traditional Name: 3-[(1R)-2-nitro-1-phenyl-ethyl]pentane-2,4-dione Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-9(15)13(10(2)16)12(8-14(17)18)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3/t12-/m0/s1