(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-bromanyl-1-(2-fluorophenyl)pyrazole-3-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-bromanyl-1-(2-fluorophenyl)pyrazole-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-bromo-1-(2-fluorophenyl)pyrazole-3-carboxylate CAS Name: 4-bromo-1-(2-fluorophenyl)-3-pyrazolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-bromo-1-(2-fluorophenyl)pyrazole-3-carboxylate Traditional Name: 4-bromo-1-(2-fluorophenyl)pyrazole-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H13BrFN3O6 MolecularWeight: 478.225423

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=NN(C=C3Br)C4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=NN(C=C3Br)C4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C19H13BrFN3O6/c20-14-7-23(16-4-2-1-3-15(16)21)22-17(14)19(25)29-9-12-6-13(24(26)27)5-11-8-28-10-30-18(11)12/h1-7H,8-10H2