ethyl (4R,5S)-5-(4,5-dimethoxy-2-nitro-phenyl)-2-oxidanylidene-1,3,2-dioxathiolane-4-carboxylate

Systemtic Name: ethyl (4R,5S)-5-(4,5-dimethoxy-2-nitro-phenyl)-2-oxidanylidene-1,3,2-dioxathiolane-4-carboxylate Openeye Name: ethyl (4R,5S)-5-(4,5-dimethoxy-2-nitro-phenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate CAS Name: (4R,5S)-5-(4,5-dimethoxy-2-nitrophenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S)-5-(4,5-dimethoxy-2-nitrophenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate Traditional Name: (4R,5S)-5-(4,5-dimethoxy-2-nitro-phenyl)-2-keto-1,3,2-dioxathiolane-4-carboxylic acid ethyl ester Formula: C13H15NO9S MolecularWeight: 361.3245

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(OS(=O)O1)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](OS(=O)O1)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C13H15NO9S/c1-4-21-13(15)12-11(22-24(18)23-12)7-5-9(19-2)10(20-3)6-8(7)14(16)17/h5-6,11-12H,4H2,1-3H3/t11-,12+,24?/m0/s1