(2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) 3,5-dinitrobenzoate

Systemtic Name: (2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) 3,5-dinitrobenzoate Openeye Name: (2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(N1OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])CC2)C

Isomeric SMILES

CC1(C2CCC(N1OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])CC2)C

InChI

InChI=1S/C16H19N3O6/c1-16(2)11-3-5-12(6-4-11)17(16)25-15(20)10-7-13(18(21)22)9-14(8-10)19(23)24/h7-9,11-12H,3-6H2,1-2H3