ethyl (2S,3R)-2-[(2R,3R)-1-ethoxycarbonyl-3-methyl-2-nitro-aziridin-2-yl]-3-methyl-2-nitro-aziridine-1-carboxylate

Systemtic Name: ethyl (2S,3R)-2-[(2R,3R)-1-ethoxycarbonyl-3-methyl-2-nitro-aziridin-2-yl]-3-methyl-2-nitro-aziridine-1-carboxylate Openeye Name: ethyl (2S,3R)-2-[(2R,3R)-1-ethoxycarbonyl-3-methyl-2-nitro-aziridin-2-yl]-3-methyl-2-nitro-aziridine-1-carboxylate CAS Name: (2S,3R)-2-[(2R,3R)-1-ethoxycarbonyl-3-methyl-2-nitro-2-aziridinyl]-3-methyl-2-nitro-1-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R)-2-[(2R,3R)-1-ethoxycarbonyl-3-methyl-2-nitroaziridin-2-yl]-3-methyl-2-nitroaziridine-1-carboxylate Traditional Name: (2S,3R)-2-[(2R,3R)-1-carbethoxy-3-methyl-2-nitro-ethylenimin-2-yl]-3-methyl-2-nitro-ethylenimine-1-carboxylic acid ethyl ester Formula: C12H18N4O8 MolecularWeight: 346.29332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C1(C2(C(N2C(=O)OCC)C)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)N1[C@@H]([C@]1([C@]2([C@H](N2C(=O)OCC)C)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C12H18N4O8/c1-5-23-9(17)13-7(3)11(13,15(19)20)12(16(21)22)8(4)14(12)10(18)24-6-2/h7-8H,5-6H2,1-4H3/t7-,8-,11-,12+,13?,14?/m1/s1