(3R)-3-[(S)-(2-chloranyl-5-nitro-phenyl)-oxidanyl-methyl]hexan-2-one

Systemtic Name: (3R)-3-[(S)-(2-chloranyl-5-nitro-phenyl)-oxidanyl-methyl]hexan-2-one Openeye Name: (3R)-3-[(S)-(2-chloro-5-nitro-phenyl)-hydroxy-methyl]hexan-2-one CAS Name: (3R)-3-[(S)-(2-chloro-5-nitrophenyl)-hydroxymethyl]-2-hexanone IUPAC Name: (3R)-3-[(S)-(2-chloro-5-nitrophenyl)-hydroxymethyl]hexan-2-one Traditional Name: (3R)-3-[(S)-(2-chloro-5-nitro-phenyl)-hydroxy-methyl]hexan-2-one Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO4/c1-3-4-10(8(2)16)13(17)11-7-9(15(18)19)5-6-12(11)14/h5-7,10,13,17H,3-4H2,1-2H3/t10-,13-/m0/s1