(3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-nitrobenzoate

Systemtic Name: (3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-nitrobenzoate Openeye Name: (3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) ester IUPAC Name: (3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CN1CC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H21N3O4/c1-17-7-12-9-18(2)10-13(8-17)15(12)23-16(20)11-3-5-14(6-4-11)19(21)22/h3-6,12-13,15H,7-10H2,1-2H3