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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 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-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 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 piperonyl ester Formula: C18H14FN3O4 MolecularWeight: 355.319863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14FN3O4/c1-11-20-17(21-22(11)14-5-3-13(19)4-6-14)18(23)24-9-12-2-7-15-16(8-12)26-10-25-15/h2-8H,9-10H2,1H3