[(1R,5S)-7-bromanyl-6-phenyl-6-bicyclo[3.1.1]heptanyl] 3-nitrobenzoate

Systemtic Name: [(1R,5S)-7-bromanyl-6-phenyl-6-bicyclo[3.1.1]heptanyl] 3-nitrobenzoate Openeye Name: [(1R,5S)-7-bromo-6-phenyl-norpinan-6-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(1R,5S)-7-bromo-6-phenyl-6-bicyclo[3.1.1]heptanyl] ester IUPAC Name: [(1R,5S)-7-bromo-6-phenyl-6-bicyclo[3.1.1]heptanyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(1R,5S)-7-bromo-6-phenyl-norpinan-6-yl] ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1)C2(C3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO4/c21-18-16-10-5-11-17(18)20(16,14-7-2-1-3-8-14)26-19(23)13-6-4-9-15(12-13)22(24)25/h1-4,6-9,12,16-18H,5,10-11H2/t16-,17+,18?,20?