[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(6-methyl-2-nitro-pyridin-3-yl)oxyethanoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(6-methyl-2-nitro-pyridin-3-yl)oxyethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetate CAS Name: 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(6-methyl-2-nitropyridin-3-yl)oxyacetate Traditional Name: 2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC2=C(N=C(C=C2)C)[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)COC2=C(N=C(C=C2)C)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C18H26N2O5/c1-11(2)14-7-5-12(3)9-16(14)25-17(21)10-24-15-8-6-13(4)19-18(15)20(22)23/h6,8,11-12,14,16H,5,7,9-10H2,1-4H3/t12-,14+,16-/m0/s1