1,3-benzodioxol-5-yl 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C17H12FN3O4 MolecularWeight: 341.293283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H12FN3O4/c1-10-19-16(20-21(10)12-4-2-11(18)3-5-12)17(22)25-13-6-7-14-15(8-13)24-9-23-14/h2-8H,9H2,1H3