5-[[2-[bis(fluoranyl)methoxy]-5-methyl-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[2-[bis(fluoranyl)methoxy]-5-methyl-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[2-(difluoromethoxy)-5-methyl-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[2-(difluoromethoxy)-5-methylanilino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[2-(difluoromethoxy)-5-methyl-phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C14H13F2N3O4 MolecularWeight: 325.267526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(F)F)NC(=O)C2=C(C=NN2C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC(F)F)NC(=O)C2=C(C=NN2C)C(=O)O

InChI

InChI=1S/C14H13F2N3O4/c1-7-3-4-10(23-14(15)16)9(5-7)18-12(20)11-8(13(21)22)6-17-19(11)2/h3-6,14H,1-2H3,(H,18,20)(H,21,22)