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

Systemtic Name: ethyl (3S,4S,5R)-3-butan-2-yl-2-(3,5-dinitrophenyl)carbonyl-5-methyl-5-oxidanyl-1,2-oxazolidine-4-carboxylate Openeye Name: ethyl (3S,4S,5R)-2-(3,5-dinitrobenzoyl)-5-hydroxy-5-methyl-3-sec-butyl-isoxazolidine-4-carboxylate CAS Name: (3S,4S,5R)-3-butan-2-yl-2-[(3,5-dinitrophenyl)-oxomethyl]-5-hydroxy-5-methyl-4-isoxazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S,5R)-3-butan-2-yl-2-(3,5-dinitrobenzoyl)-5-hydroxy-5-methyl-1,2-oxazolidine-4-carboxylate Traditional Name: (3S,4S,5R)-2-(3,5-dinitrobenzoyl)-5-hydroxy-5-methyl-3-sec-butyl-isoxazolidine-4-carboxylic acid ethyl ester Formula: C18H23N3O9 MolecularWeight: 425.38992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(C(ON1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])(C)O)C(=O)OCC

Isomeric SMILES

CCC(C)[C@H]1[C@@H]([C@](ON1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])(C)O)C(=O)OCC

InChI

InChI=1S/C18H23N3O9/c1-5-10(3)15-14(17(23)29-6-2)18(4,24)30-19(15)16(22)11-7-12(20(25)26)9-13(8-11)21(27)28/h7-10,14-15,24H,5-6H2,1-4H3/t10?,14-,15+,18-/m1/s1