3-[(1R,5R)-7-cyano-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate

Systemtic Name: 3-[(1R,5R)-7-cyano-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate Openeye Name: 3-[(1R,5R)-7-cyano-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate CAS Name: 3-[(1R,5R)-7-cyano-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate IUPAC Name: 3-[(1R,5R)-7-cyano-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate Traditional Name: 3-[(1R,5R)-7-cyano-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propionate Formula: C12H14N4O6 MolecularWeight: 310.26276

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2(CC1(C[NH+](C2)CCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O6/c13-5-9-3-11(15(19)20)6-12(4-9,16(21)22)8-14(7-11)2-1-10(17)18/h3H,1-2,4,6-8H2,(H,17,18)/t11-,12+/m0/s1