(2R,3S,4S,5S)-5-(furan-2-yl)-3-(methoxymethyl)-2-methyl-4-nitro-cyclohexan-1-one

Systemtic Name: (2R,3S,4S,5S)-5-(furan-2-yl)-3-(methoxymethyl)-2-methyl-4-nitro-cyclohexan-1-one Openeye Name: (2R,3S,4S,5S)-5-(2-furyl)-3-(methoxymethyl)-2-methyl-4-nitro-cyclohexanone CAS Name: (2R,3S,4S,5S)-5-(2-furanyl)-3-(methoxymethyl)-2-methyl-4-nitro-1-cyclohexanone IUPAC Name: (2R,3S,4S,5S)-5-(furan-2-yl)-3-(methoxymethyl)-2-methyl-4-nitrocyclohexan-1-one Traditional Name: (2R,3S,4S,5S)-5-(2-furyl)-3-(methoxymethyl)-2-methyl-4-nitro-cyclohexanone Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(CC1=O)C2=CC=CO2)[N+](=O)[O-])COC

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H](CC1=O)C2=CC=CO2)[N+](=O)[O-])COC

InChI

InChI=1S/C13H17NO5/c1-8-10(7-18-2)13(14(16)17)9(6-11(8)15)12-4-3-5-19-12/h3-5,8-10,13H,6-7H2,1-2H3/t8-,9-,10+,13-/m1/s1