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

Systemtic Name: 2-[(1R,5S)-6-methoxy-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]ethanoate Openeye Name: 2-[(1R,5S)-6-methoxy-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate CAS Name: 2-[(1R,5S)-6-methoxy-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate IUPAC Name: 2-[(1R,5S)-6-methoxy-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate Traditional Name: 2-[(1R,5S)-6-methoxy-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate Formula: C11H15N3O7 MolecularWeight: 301.2527

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CCC2(CC1(C[NH+](C2)CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC[C@]2(C[C@@]1(C[NH+](C2)CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O7/c1-21-8-2-3-10(13(17)18)5-11(8,14(19)20)7-12(6-10)4-9(15)16/h2H,3-7H2,1H3,(H,15,16)/t10-,11+/m1/s1