methyl (1S,2S,5R,6S)-2-(1,3-dioxolan-2-yl)-5-methyl-6-nitro-3-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2S,5R,6S)-2-(1,3-dioxolan-2-yl)-5-methyl-6-nitro-3-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S,5R,6S)-2-(1,3-dioxolan-2-yl)-5-methyl-6-nitro-3-oxo-cyclohexanecarboxylate CAS Name: (1S,2S,5R,6S)-2-(1,3-dioxolan-2-yl)-5-methyl-6-nitro-3-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S,5R,6S)-2-(1,3-dioxolan-2-yl)-5-methyl-6-nitro-3-oxocyclohexane-1-carboxylate Traditional Name: (1S,2S,5R,6S)-2-(1,3-dioxolan-2-yl)-3-keto-5-methyl-6-nitro-cyclohexanecarboxylic acid methyl ester Formula: C12H17NO7 MolecularWeight: 287.26588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C(C1[N+](=O)[O-])C(=O)OC)C2OCCO2

Isomeric SMILES

C[C@@H]1CC(=O)[C@@H]([C@@H]([C@H]1[N+](=O)[O-])C(=O)OC)C2OCCO2

InChI

InChI=1S/C12H17NO7/c1-6-5-7(14)8(12-19-3-4-20-12)9(11(15)18-2)10(6)13(16)17/h6,8-10,12H,3-5H2,1-2H3/t6-,8+,9+,10+/m1/s1