(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-fluorophenyl)amino]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-fluorophenyl)amino]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-fluoroanilino)benzoate CAS Name: 2-(4-fluoroanilino)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-fluoroanilino)benzoate Traditional Name: 2-(4-fluoroanilino)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H17FN2O6 MolecularWeight: 424.378583

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3NC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3NC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H17FN2O6/c23-16-5-7-17(8-6-16)24-20-4-2-1-3-19(20)22(26)30-12-15-10-18(25(27)28)9-14-11-29-13-31-21(14)15/h1-10,24H,11-13H2