5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)pyrazole-3-carboxylate

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)pyrazole-3-carboxylate Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)pyrazole-3-carboxylate CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)-3-pyrazolecarboxylate IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)pyrazole-3-carboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)pyrazole-3-carboxylate Formula: C18H12FN2O4- MolecularWeight: 339.297283

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC(=NN3C4=CC=C(C=C4)F)C(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC(=NN3C4=CC=C(C=C4)F)C(=O)[O-]

InChI

InChI=1S/C18H13FN2O4/c19-12-2-4-13(5-3-12)21-15(10-14(20-21)18(22)23)11-1-6-16-17(9-11)25-8-7-24-16/h1-6,9-10H,7-8H2,(H,22,23)/p-1