[(2S,3S,4S,5S)-4-acetyloxy-2-methanoyl-5-(2-nitroimidazol-1-yl)oxolan-3-yl] ethanoate

Systemtic Name: [(2S,3S,4S,5S)-4-acetyloxy-2-methanoyl-5-(2-nitroimidazol-1-yl)oxolan-3-yl] ethanoate Openeye Name: [(2S,3S,4S,5S)-4-acetoxy-2-formyl-5-(2-nitroimidazol-1-yl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2S,3S,4S,5S)-4-acetyloxy-2-formyl-5-(2-nitro-1-imidazolyl)-3-oxolanyl] ester IUPAC Name: [(2S,3S,4S,5S)-4-acetyloxy-2-formyl-5-(2-nitroimidazol-1-yl)oxolan-3-yl] acetate Traditional Name: acetic acid [(2S,3S,4S,5S)-4-acetoxy-2-formyl-5-(2-nitroimidazol-1-yl)tetrahydrofuran-3-yl] ester Formula: C12H13N3O8 MolecularWeight: 327.24692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1OC(=O)C)N2C=CN=C2[N+](=O)[O-])C=O

Isomeric SMILES

CC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]1OC(=O)C)N2C=CN=C2[N+](=O)[O-])C=O

InChI

InChI=1S/C12H13N3O8/c1-6(17)21-9-8(5-16)23-11(10(9)22-7(2)18)14-4-3-13-12(14)15(19)20/h3-5,8-11H,1-2H3/t8-,9-,10+,11+/m1/s1