1,3-benzodioxol-5-yl 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C18H12ClFN2O4 MolecularWeight: 374.750283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC2=CC3=C(C=C2)OCO3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC2=CC3=C(C=C2)OCO3)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H12ClFN2O4/c1-10-16(17(19)22(21-10)12-4-2-11(20)3-5-12)18(23)26-13-6-7-14-15(8-13)25-9-24-14/h2-8H,9H2,1H3