methyl 2-[4-(N-tert-butyl-C-methyl-carbonimidoyl)-1-(4-fluorophenyl)-5-oxidanylidene-4H-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4-(N-tert-butyl-C-methyl-carbonimidoyl)-1-(4-fluorophenyl)-5-oxidanylidene-4H-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[4-(N-tert-butyl-C-methyl-carbonimidoyl)-1-(4-fluorophenyl)-5-oxo-4H-pyrazol-3-yl]acetate CAS Name: 2-[4-(1-tert-butyliminoethyl)-1-(4-fluorophenyl)-5-oxo-4H-pyrazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(N-tert-butyl-C-methylcarbonimidoyl)-1-(4-fluorophenyl)-5-oxo-4H-pyrazol-3-yl]acetate Traditional Name: 2-[4-(N-tert-butyl-C-methyl-carbonimidoyl)-1-(4-fluorophenyl)-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C18H22FN3O3 MolecularWeight: 347.383983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC(C)(C)C)C1C(=NN(C1=O)C2=CC=C(C=C2)F)CC(=O)OC

Isomeric SMILES

CC(=NC(C)(C)C)C1C(=NN(C1=O)C2=CC=C(C=C2)F)CC(=O)OC

InChI

InChI=1S/C18H22FN3O3/c1-11(20-18(2,3)4)16-14(10-15(23)25-5)21-22(17(16)24)13-8-6-12(19)7-9-13/h6-9,16H,10H2,1-5H3