[(1R,5S)-6-phenyl-6-bicyclo[3.1.1]heptanyl] 3,5-dinitrobenzoate

Systemtic Name: [(1R,5S)-6-phenyl-6-bicyclo[3.1.1]heptanyl] 3,5-dinitrobenzoate Openeye Name: [(1R,5S)-6-phenylnorpinan-6-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R,5S)-6-phenyl-6-bicyclo[3.1.1]heptanyl] ester IUPAC Name: [(1R,5S)-6-phenyl-6-bicyclo[3.1.1]heptanyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,5S)-6-phenylnorpinan-6-yl] ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(C1)C2(C3=CC=CC=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H]2C[C@H](C1)C2(C3=CC=CC=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6/c23-19(13-9-17(21(24)25)12-18(10-13)22(26)27)28-20(14-5-2-1-3-6-14)15-7-4-8-16(20)11-15/h1-3,5-6,9-10,12,15-16H,4,7-8,11H2/t15-,16+,20?