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

Systemtic Name: (4S,5R)-5-(4-chlorophenyl)-4-methyl-6-nitro-hexan-3-one Openeye Name: (4S,5R)-5-(4-chlorophenyl)-4-methyl-6-nitro-hexan-3-one CAS Name: (4S,5R)-5-(4-chlorophenyl)-4-methyl-6-nitro-3-hexanone IUPAC Name: (4S,5R)-5-(4-chlorophenyl)-4-methyl-6-nitrohexan-3-one Traditional Name: (4S,5R)-5-(4-chlorophenyl)-4-methyl-6-nitro-hexan-3-one Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3/c1-3-13(16)9(2)12(8-15(17)18)10-4-6-11(14)7-5-10/h4-7,9,12H,3,8H2,1-2H3/t9-,12+/m0/s1