1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]-4-nitro-benzene

Systemtic Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]-4-nitro-benzene Openeye Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-4-nitro-benzene CAS Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4-nitrobenzene IUPAC Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4-nitrobenzene Traditional Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-4-nitro-benzene Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C17H25NO3/c1-12(2)16-9-4-13(3)10-17(16)21-11-14-5-7-15(8-6-14)18(19)20/h5-8,12-13,16-17H,4,9-11H2,1-3H3/t13-,16+,17-/m1/s1