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

Systemtic Name: 2-[(1R,5R)-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]ethanoate Openeye Name: 2-[(1R,5R)-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate CAS Name: 2-[(1R,5R)-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate IUPAC Name: 2-[(1R,5R)-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate Traditional Name: 2-[(1R,5R)-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate Formula: C10H13N3O6 MolecularWeight: 271.22672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N3O6/c14-8(15)4-11-6-9(12(16)17)2-1-3-10(5-9,7-11)13(18)19/h1-2H,3-7H2,(H,14,15)/t9-,10+/m0/s1