propan-2-yl 4-[[2-[bis(fluoranyl)methoxy]-5-bromanyl-phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[[2-[bis(fluoranyl)methoxy]-5-bromanyl-phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[5-bromo-2-(difluoromethoxy)phenyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C17H18BrF2N3O4 MolecularWeight: 446.243326

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=C(C=CC(=C2)Br)OC(F)F

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=C(C=CC(=C2)Br)OC(F)F

InChI

InChI=1S/C17H18BrF2N3O4/c1-4-23-8-12(14(22-23)16(25)26-9(2)3)21-15(24)11-7-10(18)5-6-13(11)27-17(19)20/h5-9,17H,4H2,1-3H3,(H,21,24)