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

Systemtic Name: [(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-nitrobenzoate Openeye Name: [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4/c1-11(2)13-9-8-12(3)10-16(13)22-17(19)14-6-4-5-7-15(14)18(20)21/h4-7,11-13,16H,8-10H2,1-3H3/t12-,13+,16+/m1/s1