(1R,2R)-2-methyl-1-(4-nitrophenyl)-1-oxidanyl-pentan-3-one

Systemtic Name: (1R,2R)-2-methyl-1-(4-nitrophenyl)-1-oxidanyl-pentan-3-one Openeye Name: (1R,2R)-1-hydroxy-2-methyl-1-(4-nitrophenyl)pentan-3-one CAS Name: (1R,2R)-1-hydroxy-2-methyl-1-(4-nitrophenyl)-3-pentanone IUPAC Name: (1R,2R)-1-hydroxy-2-methyl-1-(4-nitrophenyl)pentan-3-one Traditional Name: (1R,2R)-1-hydroxy-2-methyl-1-(4-nitrophenyl)pentan-3-one Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-3-11(14)8(2)12(15)9-4-6-10(7-5-9)13(16)17/h4-8,12,15H,3H2,1-2H3/t8-,12+/m0/s1