(4-pyrazol-1-ylphenyl)methyl 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-bromanyl-5-fluoranyl-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C17H12BrFN2O2 MolecularWeight: 375.191783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=C(C=CC(=C3)F)Br

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=C(C=CC(=C3)F)Br

InChI

InChI=1S/C17H12BrFN2O2/c18-16-7-4-13(19)10-15(16)17(22)23-11-12-2-5-14(6-3-12)21-9-1-8-20-21/h1-10H,11H2