[(1S,2R)-2-phenylcyclohexyl] 4-nitrobenzoate

Systemtic Name: [(1S,2R)-2-phenylcyclohexyl] 4-nitrobenzoate Openeye Name: [(1S,2R)-2-phenylcyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,2R)-2-phenylcyclohexyl] ester IUPAC Name: [(1S,2R)-2-phenylcyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,2R)-2-phenylcyclohexyl] ester Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO4/c21-19(15-10-12-16(13-11-15)20(22)23)24-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18H,4-5,8-9H2/t17-,18+/m1/s1