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

Systemtic Name: (2R,4S,5R)-5-(1,3-benzodioxol-5-yl)-2-methyl-4-nitro-cyclohexan-1-one Openeye Name: (2R,4S,5R)-5-(1,3-benzodioxol-5-yl)-2-methyl-4-nitro-cyclohexanone CAS Name: (2R,4S,5R)-5-(1,3-benzodioxol-5-yl)-2-methyl-4-nitro-1-cyclohexanone IUPAC Name: (2R,4S,5R)-5-(1,3-benzodioxol-5-yl)-2-methyl-4-nitrocyclohexan-1-one Traditional Name: (2R,4S,5R)-5-(1,3-benzodioxol-5-yl)-2-methyl-4-nitro-cyclohexanone Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CC1=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H](CC1=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C14H15NO5/c1-8-4-11(15(17)18)10(6-12(8)16)9-2-3-13-14(5-9)20-7-19-13/h2-3,5,8,10-11H,4,6-7H2,1H3/t8-,10-,11+/m1/s1