(2S)-4-methyl-2-[(R)-(4-nitrophenyl)-oxidanyl-methyl]cyclohexan-1-one

Systemtic Name: (2S)-4-methyl-2-[(R)-(4-nitrophenyl)-oxidanyl-methyl]cyclohexan-1-one Openeye Name: (2S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]-4-methyl-cyclohexanone CAS Name: (2S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]-4-methyl-1-cyclohexanone IUPAC Name: (2S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]-4-methylcyclohexan-1-one Traditional Name: (2S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]-4-methyl-cyclohexanone Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)C(C1)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1CCC(=O)[C@@H](C1)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H17NO4/c1-9-2-7-13(16)12(8-9)14(17)10-3-5-11(6-4-10)15(18)19/h3-6,9,12,14,17H,2,7-8H2,1H3/t9?,12-,14+/m1/s1