2-[(1S,5S)-7-methoxycarbonyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]ethanoate

Systemtic Name: 2-[(1S,5S)-7-methoxycarbonyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]ethanoate Openeye Name: 2-[(1S,5S)-7-methoxycarbonyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate CAS Name: 2-[(1S,5S)-7-methoxycarbonyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate IUPAC Name: 2-[(1S,5S)-7-methoxycarbonyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate Traditional Name: 2-[(1S,5S)-7-carbomethoxy-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate Formula: C12H15N3O8 MolecularWeight: 329.2628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2(CC(C1)(C[NH+](C2)CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C[C@]2(C[C@@](C1)(C[NH+](C2)CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O8/c1-23-10(18)8-2-11(14(19)20)5-12(3-8,15(21)22)7-13(6-11)4-9(16)17/h2H,3-7H2,1H3,(H,16,17)/t11-,12+/m1/s1