ethyl (3S,4S,5R)-2-(3,5-dinitrophenyl)carbonyl-5-methyl-5-oxidanyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate

Systemtic Name: ethyl (3S,4S,5R)-2-(3,5-dinitrophenyl)carbonyl-5-methyl-5-oxidanyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate Openeye Name: ethyl (3S,4S,5R)-2-(3,5-dinitrobenzoyl)-5-hydroxy-3-isopropyl-5-methyl-isoxazolidine-4-carboxylate CAS Name: (3S,4S,5R)-2-[(3,5-dinitrophenyl)-oxomethyl]-5-hydroxy-5-methyl-3-propan-2-yl-4-isoxazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S,5R)-2-(3,5-dinitrobenzoyl)-5-hydroxy-5-methyl-3-propan-2-yl-1,2-oxazolidine-4-carboxylate Traditional Name: (3S,4S,5R)-2-(3,5-dinitrobenzoyl)-5-hydroxy-3-isopropyl-5-methyl-isoxazolidine-4-carboxylic acid ethyl ester Formula: C17H21N3O9 MolecularWeight: 411.36334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N(OC1(C)O)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O9/c1-5-28-16(22)13-14(9(2)3)18(29-17(13,4)23)15(21)10-6-11(19(24)25)8-12(7-10)20(26)27/h6-9,13-14,23H,5H2,1-4H3/t13-,14+,17-/m1/s1