[(1R,2S,5R)-5-methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl] 3-oxidanylidenecyclohexene-1-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl] 3-oxidanylidenecyclohexene-1-carboxylate Openeye Name: [(1R,2S,5R)-5-methyl-2-[1-methyl-1-(4-nitrophenyl)ethyl]cyclohexyl] 3-oxocyclohexene-1-carboxylate CAS Name: 3-oxo-1-cyclohexenecarboxylic acid [(1R,2S,5R)-5-methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl] 3-oxocyclohexene-1-carboxylate Traditional Name: 3-ketocyclohexene-1-carboxylic acid [(1R,2S,5R)-5-methyl-2-[1-methyl-1-(4-nitrophenyl)ethyl]cyclohexyl] ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC(=O)CCC2)C(C)(C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC(=O)CCC2)C(C)(C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29NO5/c1-15-7-12-20(23(2,3)17-8-10-18(11-9-17)24(27)28)21(13-15)29-22(26)16-5-4-6-19(25)14-16/h8-11,14-15,20-21H,4-7,12-13H2,1-3H3/t15-,20-,21-/m1/s1