[3-(3-fluoranyl-2-morpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl 2,4-dinitrobenzenesulfonate

Systemtic Name: [3-(3-fluoranyl-2-morpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl 2,4-dinitrobenzenesulfonate Openeye Name: [3-(3-fluoro-2-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl 2,4-dinitrobenzenesulfonate CAS Name: 2,4-dinitrobenzenesulfonic acid [3-[3-fluoro-2-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl ester IUPAC Name: [3-(3-fluoro-2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2,4-dinitrobenzenesulfonate Traditional Name: 2,4-dinitrobenzenesulfonic acid [3-(3-fluoro-2-morpholino-phenyl)-2-keto-oxazolidin-5-yl]methyl ester Formula: C20H19FN4O10S MolecularWeight: 526.449063

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=C2F)N3CC(OC3=O)COS(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=CC=C2F)N3CC(OC3=O)COS(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19FN4O10S/c21-15-2-1-3-16(19(15)22-6-8-33-9-7-22)23-11-14(35-20(23)26)12-34-36(31,32)18-5-4-13(24(27)28)10-17(18)25(29)30/h1-5,10,14H,6-9,11-12H2