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

Systemtic Name: 3-[(1R,5R)-7-aminocarbonyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoate Openeye Name: 3-[(1R,5R)-7-carbamoyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoate CAS Name: 3-[(1R,5R)-7-carbamoyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoate IUPAC Name: 3-[(1R,5R)-7-carbamoyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoate Traditional Name: 3-[(1R,5R)-7-carbamoyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propionate Formula: C12H15N4O7- MolecularWeight: 327.2701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O7/c13-10(19)8-3-11(15(20)21)5-12(4-8,16(22)23)7-14(6-11)2-1-9(17)18/h3H,1-2,4-7H2,(H2,13,19)(H,17,18)/p-1/t11-,12+/m0/s1