[2-[[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate

Systemtic Name: [2-[[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate Openeye Name: [2-[[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [2-[[2-(4-fluorophenyl)-5-methyl-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [2-[[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]amino]-2-keto-ethyl] ester Formula: C21H20FN3O5 MolecularWeight: 413.399003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC(=O)C2=C(C=CC=C2OC)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC(=O)C2=C(C=CC=C2OC)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O5/c1-13-11-18(25(24-13)15-9-7-14(22)8-10-15)23-19(26)12-30-21(27)20-16(28-2)5-4-6-17(20)29-3/h4-11H,12H2,1-3H3,(H,23,26)