[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-methoxy-3-nitro-benzoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO5/c1-11(2)14-7-5-12(3)9-17(14)24-18(20)13-6-8-16(23-4)15(10-13)19(21)22/h6,8,10-12,14,17H,5,7,9H2,1-4H3/t12-,14-,17+/m0/s1