[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20FN3O5 MolecularWeight: 413.399003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

InChI

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