(1S,5S)-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene-7-carboxylate

Systemtic Name: (1S,5S)-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene-7-carboxylate Openeye Name: (1S,5S)-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene-7-carboxylate CAS Name: (1S,5S)-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene-7-carboxylate IUPAC Name: (1S,5S)-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene-7-carboxylate Traditional Name: (1S,5S)-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene-7-carboxylate Formula: C10H13N3O6 MolecularWeight: 271.22672

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC2(CC(=CC(C2)(C1)[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1C[C@@]2(CC(=C[C@@](C2)(C1)[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O6/c1-11-5-9(12(16)17)2-7(8(14)15)3-10(4-9,6-11)13(18)19/h2H,3-6H2,1H3,(H,14,15)/t9-,10+/m1/s1