2-[(1R,5S)-6-bromanyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]ethanoate

Systemtic Name: 2-[(1R,5S)-6-bromanyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]ethanoate Openeye Name: 2-[(1R,5S)-6-bromo-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate CAS Name: 2-[(1R,5S)-6-bromo-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate IUPAC Name: 2-[(1R,5S)-6-bromo-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate Traditional Name: 2-[(1R,5S)-6-bromo-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate Formula: C10H12BrN3O6 MolecularWeight: 350.12278

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2(CC1(C[NH+](C2)CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1C=C([C@@]2(C[C@]1(C[NH+](C2)CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C10H12BrN3O6/c11-7-1-2-9(13(17)18)4-10(7,14(19)20)6-12(5-9)3-8(15)16/h1H,2-6H2,(H,15,16)/t9-,10+/m1/s1