(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-4-imidazolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)imidazole-4-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H14FN3O6 MolecularWeight: 399.329363

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CN=CN3C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CN=CN3C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C19H14FN3O6/c20-14-1-3-15(4-2-14)22-10-21-7-17(22)19(24)28-9-13-6-16(23(25)26)5-12-8-27-11-29-18(12)13/h1-7,10H,8-9,11H2