ethyl 1-[3-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[3-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[3-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]phenyl]pyrazole-3-carboxylate CAS Name: 1-[3-[[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]amino]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]phenyl]pyrazole-3-carboxylate Traditional Name: 1-[3-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C20H17BrFN3O4 MolecularWeight: 462.269083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1)C2=CC(=CC=C2)NC(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCOC(=O)C1=NN(C=C1)C2=CC(=CC=C2)NC(=O)COC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H17BrFN3O4/c1-2-28-20(27)17-8-9-25(24-17)15-5-3-4-14(11-15)23-19(26)12-29-18-7-6-13(21)10-16(18)22/h3-11H,2,12H2,1H3,(H,23,26)