[(2R,5S)-8,8-dimethyl-1-azabicyclo[3.2.1]oct-6-en-2-yl] 4-nitrobenzoate

Systemtic Name: [(2R,5S)-8,8-dimethyl-1-azabicyclo[3.2.1]oct-6-en-2-yl] 4-nitrobenzoate Openeye Name: [(2R,5S)-8,8-dimethyl-1-azabicyclo[3.2.1]oct-6-en-2-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R,5S)-8,8-dimethyl-1-azabicyclo[3.2.1]oct-6-en-2-yl] ester IUPAC Name: [(2R,5S)-8,8-dimethyl-1-azabicyclo[3.2.1]oct-6-en-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2R,5S)-8,8-dimethyl-1-azabicyclo[3.2.1]oct-6-en-2-yl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(N1C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1([C@H]2CC[C@H](N1C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N2O4/c1-16(2)12-5-8-14(17(16)10-9-12)22-15(19)11-3-6-13(7-4-11)18(20)21/h3-4,6-7,9-10,12,14H,5,8H2,1-2H3/t12-,14+/m0/s1