ethyl 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-5-(4-fluorophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-5-(4-fluorophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 2-[2-(4-bromophenyl)-2-oxo-ethyl]-5-(4-fluorophenyl)pyrazole-3-carboxylate CAS Name: 2-[2-(4-bromophenyl)-2-oxoethyl]-5-(4-fluorophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromophenyl)-2-oxoethyl]-5-(4-fluorophenyl)pyrazole-3-carboxylate Traditional Name: 2-[2-(4-bromophenyl)-2-keto-ethyl]-5-(4-fluorophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H16BrFN2O3 MolecularWeight: 431.255043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1CC(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC(=NN1CC(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H16BrFN2O3/c1-2-27-20(26)18-11-17(13-5-9-16(22)10-6-13)23-24(18)12-19(25)14-3-7-15(21)8-4-14/h3-11H,2,12H2,1H3