methyl (3S)-8-methyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (3S)-8-methyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (3S)-8-methyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S)-8-methyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (3S)-8-methyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S)-8-methyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1C2CCC1C([C@H](C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H20N2O4/c1-17-12-7-8-14(17)15(16(19)22-2)13(9-12)10-3-5-11(6-4-10)18(20)21/h3-6,12-15H,7-9H2,1-2H3/t12?,13-,14?,15?/m1/s1