(phenylmethyl) 2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-nitro-ethanoate

Systemtic Name: (phenylmethyl) 2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-nitro-ethanoate Openeye Name: benzyl 2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-nitro-acetate CAS Name: 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-nitroacetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-nitroacetate Traditional Name: 2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-nitro-acetic acid benzyl ester Formula: C19H27NO5 MolecularWeight: 349.42138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(C(=O)OCC2=CC=CC=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(C(=O)OCC2=CC=CC=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C19H27NO5/c1-13(2)16-10-9-14(3)11-17(16)25-18(20(22)23)19(21)24-12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3/t14-,16+,17-,18?/m1/s1