[2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] ester IUPAC Name: [2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl] ester Formula: C17H23NO7 MolecularWeight: 353.36702

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C17H23NO7/c1-10(2)12-5-4-11(3)8-14(12)25-16(19)9-23-17(20)13-6-7-15(24-13)18(21)22/h6-7,10-12,14H,4-5,8-9H2,1-3H3/t11-,12+,14-/m0/s1