(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 5-morpholin-4-yl-2-nitro-benzoate

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 5-morpholin-4-yl-2-nitro-benzoate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 5-morpholino-2-nitro-benzoate CAS Name: 5-(4-morpholinyl)-2-nitrobenzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 5-morpholin-4-yl-2-nitrobenzoate Traditional Name: 5-morpholino-2-nitro-benzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H19FN2O7 MolecularWeight: 418.372463

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C20H19FN2O7/c21-15-7-13-10-28-12-30-19(13)14(8-15)11-29-20(24)17-9-16(1-2-18(17)23(25)26)22-3-5-27-6-4-22/h1-2,7-9H,3-6,10-12H2