2-[(1R,5R)-7-aminocarbonyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]ethanoate

Systemtic Name: 2-[(1R,5R)-7-aminocarbonyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]ethanoate Openeye Name: 2-[(1R,5R)-7-carbamoyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate CAS Name: 2-[(1R,5R)-7-carbamoyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate IUPAC Name: 2-[(1R,5R)-7-carbamoyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate Traditional Name: 2-[(1R,5R)-7-carbamoyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]acetate Formula: C11H14N4O7 MolecularWeight: 314.25146

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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-])C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O7/c12-9(18)7-1-10(14(19)20)4-11(2-7,15(21)22)6-13(5-10)3-8(16)17/h1H,2-6H2,(H2,12,18)(H,16,17)/t10-,11+/m0/s1