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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(2-nitrophenyl)ethanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-(2-nitrophenyl)acetate CAS Name: 2-(2-nitrophenyl)acetic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-nitrophenyl)acetate Traditional Name: 2-(2-nitrophenyl)acetic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC2=CC=CC=C2[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC2=CC=CC=C2[N+](=O)[O-])C(C)C

InChI

InChI=1S/C18H25NO4/c1-12(2)15-9-8-13(3)10-17(15)23-18(20)11-14-6-4-5-7-16(14)19(21)22/h4-7,12-13,15,17H,8-11H2,1-3H3/t13-,15+,17-/m1/s1