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

Systemtic Name: 3-[(1R,5R)-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate Openeye Name: 3-[(1R,5R)-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate CAS Name: 3-[(1R,5R)-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate IUPAC Name: 3-[(1R,5R)-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate Traditional Name: 3-[(1R,5R)-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propionate Formula: C11H15N3O6 MolecularWeight: 285.2533

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O6/c15-9(16)2-5-12-7-10(13(17)18)3-1-4-11(6-10,8-12)14(19)20/h1,3H,2,4-8H2,(H,15,16)/t10-,11+/m0/s1