[3-[4-[bis(fluoranyl)methyl]-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]-4-fluoranyl-phenyl] 2,2-bis(chloranyl)pentanoate

Systemtic Name: [3-[4-[bis(fluoranyl)methyl]-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]-4-fluoranyl-phenyl] 2,2-bis(chloranyl)pentanoate Openeye Name: [3-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluoro-phenyl] 2,2-dichloropentanoate CAS Name: 2,2-dichloropentanoic acid [3-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl] ester IUPAC Name: [3-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl] 2,2-dichloropentanoate Traditional Name: 2,2-dichlorovaleric acid [3-[4-(difluoromethyl)-5-keto-3-methyl-1,2,4-triazol-1-yl]-4-fluoro-phenyl] ester Formula: C15H14Cl2F3N3O3 MolecularWeight: 412.19117

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OC1=CC(=C(C=C1)F)N2C(=O)N(C(=N2)C)C(F)F)(Cl)Cl

Isomeric SMILES

CCCC(C(=O)OC1=CC(=C(C=C1)F)N2C(=O)N(C(=N2)C)C(F)F)(Cl)Cl

InChI

InChI=1S/C15H14Cl2F3N3O3/c1-3-6-15(16,17)12(24)26-9-4-5-10(18)11(7-9)23-14(25)22(13(19)20)8(2)21-23/h4-5,7,13H,3,6H2,1-2H3