2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-(2-fluorophenyl)-5-methyl-pyrazole-4-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-(2-fluorophenyl)-5-methyl-pyrazole-4-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 1-(2-fluorophenyl)-5-methyl-pyrazole-4-carboxylate CAS Name: 1-(2-fluorophenyl)-5-methyl-4-pyrazolecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 1-(2-fluorophenyl)-5-methylpyrazole-4-carboxylate Traditional Name: 1-(2-fluorophenyl)-5-methyl-pyrazole-4-carboxylic acid 2-phthalimidoethyl ester Formula: C21H16FN3O4 MolecularWeight: 393.367843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2F)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2F)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H16FN3O4/c1-13-16(12-23-25(13)18-9-5-4-8-17(18)22)21(28)29-11-10-24-19(26)14-6-2-3-7-15(14)20(24)27/h2-9,12H,10-11H2,1H3