(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H19FN2O9S MolecularWeight: 482.436263

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)F

InChI

InChI=1S/C20H19FN2O9S/c21-17-2-1-13(9-18(17)33(27,28)22-3-5-29-6-4-22)20(24)31-11-15-8-16(23(25)26)7-14-10-30-12-32-19(14)15/h1-2,7-9H,3-6,10-12H2