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

Systemtic Name: ethyl (3S,4S,5R)-3-cyclohexyl-2-(3,5-dinitrophenyl)carbonyl-5-methyl-5-oxidanyl-1,2-oxazolidine-4-carboxylate Openeye Name: ethyl (3S,4S,5R)-3-cyclohexyl-2-(3,5-dinitrobenzoyl)-5-hydroxy-5-methyl-isoxazolidine-4-carboxylate CAS Name: (3S,4S,5R)-3-cyclohexyl-2-[(3,5-dinitrophenyl)-oxomethyl]-5-hydroxy-5-methyl-4-isoxazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S,5R)-3-cyclohexyl-2-(3,5-dinitrobenzoyl)-5-hydroxy-5-methyl-1,2-oxazolidine-4-carboxylate Traditional Name: (3S,4S,5R)-3-cyclohexyl-2-(3,5-dinitrobenzoyl)-5-hydroxy-5-methyl-isoxazolidine-4-carboxylic acid ethyl ester Formula: C20H25N3O9 MolecularWeight: 451.4272

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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-])C3CCCCC3

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-])C3CCCCC3

InChI

InChI=1S/C20H25N3O9/c1-3-31-19(25)16-17(12-7-5-4-6-8-12)21(32-20(16,2)26)18(24)13-9-14(22(27)28)11-15(10-13)23(29)30/h9-12,16-17,26H,3-8H2,1-2H3/t16-,17+,20-/m1/s1