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

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(5-nitro-2-oxo-1-pyridyl)acetate CAS Name: 2-(5-nitro-2-oxo-1-pyridinyl)acetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(5-nitro-2-oxopyridin-1-yl)acetate Traditional Name: 2-(2-keto-5-nitro-1-pyridyl)acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C17H24N2O5/c1-11(2)14-6-4-12(3)8-15(14)24-17(21)10-18-9-13(19(22)23)5-7-16(18)20/h5,7,9,11-12,14-15H,4,6,8,10H2,1-3H3/t12-,14+,15-/m0/s1