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

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H19FN2O7 MolecularWeight: 406.361763

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=C3C(=CC(=C2)F)COCO3

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=C3C(=CC(=C2)F)COCO3

InChI

InChI=1S/C19H19FN2O7/c1-26-5-4-21-17-3-2-15(22(24)25)8-16(17)19(23)28-10-13-7-14(20)6-12-9-27-11-29-18(12)13/h2-3,6-8,21H,4-5,9-11H2,1H3