(3S)-3-(3-methoxy-2-nitro-5-oxidanylidene-cyclohexyl)-3-methyl-oxan-2-one

Systemtic Name: (3S)-3-(3-methoxy-2-nitro-5-oxidanylidene-cyclohexyl)-3-methyl-oxan-2-one Openeye Name: (3S)-3-(3-methoxy-2-nitro-5-oxo-cyclohexyl)-3-methyl-tetrahydropyran-2-one CAS Name: (3S)-3-(3-methoxy-2-nitro-5-oxocyclohexyl)-3-methyl-2-oxanone IUPAC Name: (3S)-3-(3-methoxy-2-nitro-5-oxocyclohexyl)-3-methyloxan-2-one Traditional Name: (3S)-3-(5-keto-3-methoxy-2-nitro-cyclohexyl)-3-methyl-tetrahydropyran-2-one Formula: C13H19NO6 MolecularWeight: 285.29306

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCOC1=O)C2CC(=O)CC(C2[N+](=O)[O-])OC

Isomeric SMILES

C[C@]1(CCCOC1=O)C2CC(=O)CC(C2[N+](=O)[O-])OC

InChI

InChI=1S/C13H19NO6/c1-13(4-3-5-20-12(13)16)9-6-8(15)7-10(19-2)11(9)14(17)18/h9-11H,3-7H2,1-2H3/t9?,10?,11?,13-/m0/s1