[(1S,2S)-2-pyridin-2-ylcyclohexyl] 4-nitrobenzoate

Systemtic Name: [(1S,2S)-2-pyridin-2-ylcyclohexyl] 4-nitrobenzoate Openeye Name: [(1S,2S)-2-(2-pyridyl)cyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,2S)-2-(2-pyridinyl)cyclohexyl] ester IUPAC Name: [(1S,2S)-2-pyridin-2-ylcyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,2S)-2-(2-pyridyl)cyclohexyl] ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC=CC=N2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C2=CC=CC=N2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4/c21-18(13-8-10-14(11-9-13)20(22)23)24-17-7-2-1-5-15(17)16-6-3-4-12-19-16/h3-4,6,8-12,15,17H,1-2,5,7H2/t15-,17-/m0/s1