3-[(1S)-1-(4-chlorophenyl)-2-nitro-ethyl]pentane-2,4-dione

Systemtic Name: 3-[(1S)-1-(4-chlorophenyl)-2-nitro-ethyl]pentane-2,4-dione Openeye Name: 3-[(1S)-1-(4-chlorophenyl)-2-nitro-ethyl]pentane-2,4-dione CAS Name: 3-[(1S)-1-(4-chlorophenyl)-2-nitroethyl]pentane-2,4-dione IUPAC Name: 3-[(1S)-1-(4-chlorophenyl)-2-nitroethyl]pentane-2,4-dione Traditional Name: 3-[(1S)-1-(4-chlorophenyl)-2-nitro-ethyl]pentane-2,4-dione Formula: C13H14ClNO4 MolecularWeight: 283.70756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO4/c1-8(16)13(9(2)17)12(7-15(18)19)10-3-5-11(14)6-4-10/h3-6,12-13H,7H2,1-2H3/t12-/m1/s1