2-[(1S,2S,3R)-2-nitro-3-phenyl-cyclohexyl]ethynylbenzene

Systemtic Name: 2-[(1S,2S,3R)-2-nitro-3-phenyl-cyclohexyl]ethynylbenzene Openeye Name: 2-[(1S,2S,3R)-2-nitro-3-phenyl-cyclohexyl]ethynylbenzene CAS Name: 2-[(1S,2S,3R)-2-nitro-3-phenylcyclohexyl]ethynylbenzene IUPAC Name: 2-[(1S,2S,3R)-2-nitro-3-phenylcyclohexyl]ethynylbenzene Traditional Name: 2-[(1S,2S,3R)-2-nitro-3-phenyl-cyclohexyl]ethynylbenzene Formula: C20H19NO2 MolecularWeight: 305.37036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1)C2=CC=CC=C2)[N+](=O)[O-])C#CC3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([C@H]([C@H](C1)C2=CC=CC=C2)[N+](=O)[O-])C#CC3=CC=CC=C3

InChI

InChI=1S/C20H19NO2/c22-21(23)20-18(15-14-16-8-3-1-4-9-16)12-7-13-19(20)17-10-5-2-6-11-17/h1-6,8-11,18-20H,7,12-13H2/t18-,19+,20+/m0/s1