[8-(4-cyanonaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl] 4-nitrobenzoate

Systemtic Name: [8-(4-cyanonaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl] 4-nitrobenzoate Openeye Name: [8-(4-cyano-1-naphthyl)-8-azabicyclo[3.2.1]octan-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [8-(4-cyano-1-naphthalenyl)-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-(4-cyanonaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [8-(4-cyano-1-naphthyl)-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1N2C3=CC=C(C4=CC=CC=C43)C#N)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC2CC(CC1N2C3=CC=C(C4=CC=CC=C43)C#N)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O4/c26-15-17-7-12-24(23-4-2-1-3-22(17)23)27-19-10-11-20(27)14-21(13-19)32-25(29)16-5-8-18(9-6-16)28(30)31/h1-9,12,19-21H,10-11,13-14H2