[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-4-pyrazolecarboxylic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C22H20FN3O4 MolecularWeight: 409.410303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NCC=C)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NCC=C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FN3O4/c1-3-11-24-20(27)14-30-22(28)19-13-26(17-9-7-16(23)8-10-17)25-21(19)15-5-4-6-18(12-15)29-2/h3-10,12-13H,1,11,14H2,2H3,(H,24,27)