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

Systemtic Name: 3-[(1R,5R)-7-methoxycarbonyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate Openeye Name: 3-[(1R,5R)-7-methoxycarbonyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate CAS Name: 3-[(1R,5R)-7-methoxycarbonyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate IUPAC Name: 3-[(1R,5R)-7-methoxycarbonyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate Traditional Name: 3-[(1R,5R)-7-carbomethoxy-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propionate Formula: C13H17N3O8 MolecularWeight: 343.28938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O8/c1-24-11(19)9-4-12(15(20)21)6-13(5-9,16(22)23)8-14(7-12)3-2-10(17)18/h4H,2-3,5-8H2,1H3,(H,17,18)/t12-,13+/m0/s1