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

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-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)C(=O)OCC2=C3C(=CC(=C2)F)COCO3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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