(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic 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)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-1H-pyrazole-5-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=CC(=NN3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

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